/home/andrius/bin/cif_validate: ../8/00/00/8000028.cif data_8000028: NOTE, data item '_exptl_absorpt_correction_type' value "empirical(SADABS)" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/00/00/8000084.cif data_8000084: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/00/8000045.cif data_8000045: NOTE, value "O1(10;0;0;1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000045.cif data_8000045: NOTE, value "Cu1(15;0;0;-1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000045.cif data_8000045: NOTE, value "N2(8;0;0;0)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000045.cif data_8000045: NOTE, value "O1(10;0;0;1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000045.cif data_8000045: NOTE, value "Cu1(15;0;0;-1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000045.cif data_8000045: NOTE, value "N2(8;0;0;0)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000045.cif data_8000045: NOTE, value "O1(10;0;0;1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD6" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "RU1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "RU2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL6" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD6" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "RU1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "RU2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD6" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "RU1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "RU2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "CL6" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "PD6" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "RU1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, value "RU2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000071.cif data_8000071: NOTE, data item '_refine_ls_shift/su_max' value "-0.0010" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000096.cif data_8000096: NOTE, data item '_refine_ls_extinction_coef' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "SB1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "SB2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "SB1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "SB2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000063.cif data_8000063: NOTE, value "MN2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "Ag(1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "Ag(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "Mn(1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "Mn(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(11)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(13)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(14)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(15)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(16)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(17)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(18)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(19)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(20)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(22)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(23)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(24)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(25)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(4)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(5)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(6)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(7)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "N(9)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(10)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(4)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(6)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(72)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(75)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(8)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(12)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(14)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(15)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(18)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(21)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(22)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(24)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(25)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(27)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(28)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(29)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(31)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(32)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(34)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(35)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(37)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(39)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(40)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(42)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(47)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(48)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(49)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(51)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(54)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(55)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(56)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(57)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(58)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(59)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(6)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(60)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(61)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(64)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(65)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(66)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(68)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(69)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(70)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(71)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(74)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(77)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000060.cif data_8000060: NOTE, value "O(78)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000001.cif data_8000001: NOTE, data item '_refine_ls_hydrogen_treatment' value "riding model" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/00/00/8000080.cif data_8000080: NOTE, data item '_diffrn_standards_decay_%' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000080.cif data_8000080: NOTE, data item '_diffrn_standards_decay_%' value "none" should be in range (-inf, 100]. /home/andrius/bin/cif_validate: ../8/00/00/8000080.cif data_8000080: NOTE, data item '_diffrn_standards_interval_count' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000080.cif data_8000080: NOTE, data item '_diffrn_standards_interval_count' value "none" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000080.cif data_8000080: NOTE, data item '_diffrn_standards_interval_time' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000080.cif data_8000080: NOTE, data item '_diffrn_standards_interval_time' value "none" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000080.cif data_8000080: NOTE, data item '_diffrn_standards_number' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000080.cif data_8000080: NOTE, data item '_diffrn_standards_number' value "none" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000017.cif data_8000017: NOTE, data item '_exptl_absorpt_correction_T_max' value "1.1705" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/00/8000017.cif data_8000017: NOTE, data item '_exptl_absorpt_correction_type' value "PSI scans" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/00/00/8000017.cif data_8000017: NOTE, data item '_exptl_crystal_density_meas' value "Empirical" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000017.cif data_8000017: NOTE, data item '_exptl_crystal_density_meas' value "Empirical" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_detector_area_resol_mean' value " " is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_detector_area_resol_mean' value " " should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_standards_decay_%' value "not measured" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_standards_decay_%' value "not measured" should be in range (-inf, 100]. /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_standards_interval_count' value "not measured" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_standards_interval_count' value "not measured" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_standards_interval_time' value "not measured" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_standards_interval_time' value "not measured" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_standards_number' value "not measured" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/00/8000049.cif data_8000049: NOTE, data item '_diffrn_standards_number' value "not measured" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000088.cif data_8000088: NOTE, data item '_exptl_absorpt_correction_type' value "psi-scans" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "PD1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "PD2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "RU1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "PD1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "PD2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "RU1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "PD2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "RU1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "PD1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "PD2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "RU1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000072.cif data_8000072: NOTE, data item '_refine_ls_shift/su_max' value "-0.0010" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/00/00/8000007.cif data_8000007: NOTE, value "C(115)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/00/8000007.cif data_8000007: NOTE, data item '_refine_ls_hydrogen_treatment' value "none" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/00/01/8000130.cif data_8000130: NOTE, data item '_refine_ls_abs_structure_Flack' value "3.8(7)" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000111.cif data_8000111: NOTE, data item '_refine_ls_abs_structure_Flack' value "-0.013(3)" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000111.cif data_8000111: NOTE, data item '_refine_ls_hydrogen_treatment' value "riding model" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/00/01/8000110.cif data_8000110: NOTE, data item '_exptl_absorpt_correction_type' value "psi-scans" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/00/01/8000110.cif data_8000110: NOTE, data item '_refine_ls_hydrogen_treatment' value "riding model" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelx_estimated_absorpt_t_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelx_estimated_absorpt_t_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelx_fab_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelx_fab_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000197.cif data_8000197: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/01/8000141.cif data_8000141: NOTE, data item '_diffrn_standards_decay_%' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/01/8000141.cif data_8000141: NOTE, data item '_diffrn_standards_decay_%' value "none" should be in range (-inf, 100]. /home/andrius/bin/cif_validate: ../8/00/01/8000192.cif data_8000192: NOTE, data item '_refine_ls_hydrogen_treatment' value "fixed" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/00/01/8000165.cif data_8000165: NOTE, data item '_refine_ls_extinction_coef' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/01/8000169.cif data_8000169: NOTE, data item '_chemical_absolute_configuration' value "CHOOSE rm ad rmad syn or unk" must be one of the enumeration values [rm, ad, rmad, syn, unk, .]. /home/andrius/bin/cif_validate: ../8/00/01/8000175.cif data_8000175: NOTE, data item '_chemical_absolute_configuration' value "CHOOSE rm ad rmad syn or unk" must be one of the enumeration values [rm, ad, rmad, syn, unk, .]. /home/andrius/bin/cif_validate: ../8/00/01/8000175.cif data_8000175: NOTE, data item '_chemical_melting_point' value "202-204(hexane-ethyl_acetate)" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/01/8000175.cif data_8000175: NOTE, data item '_chemical_melting_point' value "202-204(hexane-ethyl_acetate)" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/00/01/8000182.cif data_8000182: NOTE, data item '_diffrn_measured_fraction_theta_full' value "1.0020" should be in range [0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000182.cif data_8000182: NOTE, data item '_diffrn_measured_fraction_theta_max' value "1.0020" should be in range [0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.08" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.12" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.19" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.22" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.23" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.28" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.32" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.35" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.40" should be in range [0.0, 1.0] (2 times). /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.42" should be in range [0.0, 1.0] (2 times). /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.47" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.48" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.49" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_atom_site_occupancy' value "1.52" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/01/8000177.cif data_8000177: NOTE, data item '_chemical_absolute_configuration' value "CHOOSE rm ad rmad syn or unk" must be one of the enumeration values [rm, ad, rmad, syn, unk, .]. /home/andrius/bin/cif_validate: ../8/00/01/8000105.cif data_8000105: NOTE, data item '_exptl_absorpt_correction_type' value "psi-scans" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/00/01/8000167.cif data_8000167: NOTE, data item '_chemical_absolute_configuration' value "CHOOSE rm ad rmad syn or unk" must be one of the enumeration values [rm, ad, rmad, syn, unk, .]. /home/andrius/bin/cif_validate: ../8/00/01/8000112.cif data_8000112: NOTE, data item '_exptl_absorpt_correction_type' value "psi-scans" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/00/01/8000112.cif data_8000112: NOTE, data item '_refine_ls_hydrogen_treatment' value "riding model" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(38)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "N(34)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "N(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "O(7)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "O(8)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(32)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(37)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(38)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(39)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(40)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(32)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(37)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(38)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(39)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(40)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "O(8)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(37)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "N(34)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "N(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "O(7)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "O(8)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(32)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(37)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(38)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(39)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(40)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "N(34)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "N(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "O(7)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(37)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(38)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(40)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "N(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "O(8)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(37)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "N(34)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "N(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "O(7)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "O(8)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(32)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(38)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(39)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(40)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(32)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(37)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(32)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_4" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(36)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_4" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(38)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_4" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(39)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_4" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000133.cif data_8000133: NOTE, value "C(40)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_torsion_atom_site_label_4" data item. /home/andrius/bin/cif_validate: ../8/00/01/8000104.cif data_8000104: NOTE, data item '_exptl_absorpt_correction_type' value "psi-scans" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/00/01/8000183.cif data_8000183: NOTE, data item '_chemical_absolute_configuration' value "CHOOSE rm ad rmad syn or unk" must be one of the enumeration values [rm, ad, rmad, syn, unk, .]. /home/andrius/bin/cif_validate: ../8/00/01/8000126.cif data_8000126: NOTE, data item '_exptl_absorpt_correction_type' value "multi-run" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/00/01/8000176.cif data_8000176: NOTE, data item '_chemical_absolute_configuration' value "CHOOSE rm ad rmad syn or unk" must be one of the enumeration values [rm, ad, rmad, syn, unk, .]. /home/andrius/bin/cif_validate: ../8/00/02/8000203.cif data_8000203: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000212.cif data_8000212: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000210.cif data_8000210: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000216.cif data_8000216: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_diffrn_reflns_Laue_measured_fraction_full' value "0.581" should be in range [0.95, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_diffrn_reflns_point_group_measured_fraction_full' value "0.581" should be in range [0.95, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_shelx_estimated_absorpt_t_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_shelx_estimated_absorpt_t_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000235.cif data_8000235: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000204.cif data_8000204: NOTE, data item '_refine_ls_hydrogen_treatment' value "no refined H" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_chemical_oxdiff_formula' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_chemical_oxdiff_usercomment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_exptl_oxdiff_crystal_face_indexfrac_h' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_exptl_oxdiff_crystal_face_indexfrac_k' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_exptl_oxdiff_crystal_face_indexfrac_l' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_exptl_oxdiff_crystal_face_x' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_exptl_oxdiff_crystal_face_y' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_exptl_oxdiff_crystal_face_z' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_iucr_refine_instructions_details' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_olex2_date_sample_data_collection' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_olex2_date_sample_submission' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_olex2_diffrn_ambient_temperature_device' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_olex2_exptl_crystal_mounting_method' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_olex2_submission_original_sample_id' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_oxdiff_exptl_absorpt_empirical_details' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_oxdiff_exptl_absorpt_empirical_full_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_oxdiff_exptl_absorpt_empirical_full_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_reflns_odcompleteness_completeness' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_reflns_odcompleteness_iscentric' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_reflns_odcompleteness_theta' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_shelx_fab_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_shelx_fab_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_shelx_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_smtbx_masks_void_average_x' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_smtbx_masks_void_average_y' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_smtbx_masks_void_average_z' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_smtbx_masks_void_content' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_smtbx_masks_void_count_electrons' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_smtbx_masks_void_nr' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000266.cif data_8000266: NOTE, data item '_smtbx_masks_void_volume' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000280.cif data_8000280: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000280.cif data_8000280: NOTE, data item '_shelx_estimated_absorpt_t_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000280.cif data_8000280: NOTE, data item '_shelx_estimated_absorpt_t_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000280.cif data_8000280: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000280.cif data_8000280: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000280.cif data_8000280: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000280.cif data_8000280: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000280.cif data_8000280: NOTE, data item '_shelx_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000280.cif data_8000280: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000228.cif data_8000228: NOTE, data item '_symmetry_equiv_pos_as_xyz' is mandatory in loop when data item(s) ['_symmetry_equiv_pos_site_id'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000228.cif data_8000228: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000228.cif data_8000228: NOTE, data item '_chemical_absolute_configuration' value "CHOOSE rm ad rmad syn or unk" must be one of the enumeration values [rm, ad, rmad, syn, unk, .]. /home/andrius/bin/cif_validate: ../8/00/02/8000228.cif data_8000228: NOTE, data item '_diffrn_reflns_Laue_measured_fraction_full' value "0.820" should be in range [0.95, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000228.cif data_8000228: NOTE, data item '_diffrn_reflns_point_group_measured_fraction_full' value "0.811" should be in range [0.95, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000228.cif data_8000228: NOTE, data item '_shelxl_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000228.cif data_8000228: NOTE, data item '_shelxl_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000201.cif data_8000201: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000232.cif data_8000232: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000232.cif data_8000232: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000232.cif data_8000232: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000232.cif data_8000232: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000232.cif data_8000232: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000229.cif data_8000229: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000229.cif data_8000229: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000229.cif data_8000229: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000229.cif data_8000229: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000229.cif data_8000229: NOTE, data item '_shelx_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000229.cif data_8000229: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000274.cif data_8000274: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000274.cif data_8000274: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000233.cif data_8000233: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000233.cif data_8000233: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000233.cif data_8000233: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000233.cif data_8000233: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000233.cif data_8000233: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000233.cif data_8000233: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000233.cif data_8000233: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000246.cif data_8000246: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000246.cif data_8000246: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000246.cif data_8000246: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000246.cif data_8000246: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000246.cif data_8000246: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000246.cif data_8000246: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000246.cif data_8000246: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000278.cif data_8000278: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000278.cif data_8000278: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000234.cif data_8000234: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000234.cif data_8000234: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000234.cif data_8000234: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000234.cif data_8000234: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000234.cif data_8000234: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000234.cif data_8000234: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000234.cif data_8000234: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000239.cif data_8000239: NOTE, data item '_exptl_crystal_density_diffrn' value "1.33407(14)" is not permitted to contain standard uncertainty "(14)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/00/02/8000239.cif data_8000239: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000239.cif data_8000239: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000239.cif data_8000239: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000239.cif data_8000239: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000226.cif data_8000226: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000279.cif data_8000279: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000279.cif data_8000279: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000213.cif data_8000213: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000255.cif data_8000255: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000255.cif data_8000255: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000255.cif data_8000255: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000255.cif data_8000255: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000255.cif data_8000255: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000255.cif data_8000255: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000255.cif data_8000255: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000253.cif data_8000253: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000253.cif data_8000253: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000253.cif data_8000253: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000253.cif data_8000253: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000253.cif data_8000253: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000253.cif data_8000253: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000253.cif data_8000253: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, data item '_symmetry_equiv_pos_as_xyz' is mandatory in loop when data item(s) ['_symmetry_equiv_pos_site_id'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(45A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(49A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(53A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(57A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(61A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(65A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(45A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(45B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(49A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(49B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(53A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(53B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(57A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(57B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(61A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(61B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(65A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(65B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(45A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(45B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(49A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(49B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(53A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(53B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(57A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(57B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(61A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(61B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(65A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(65B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(45A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(45B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(49A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(49B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(53A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(53B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(57A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(57B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(61A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(61B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(65A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(65B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(44C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(45A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(45B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(46C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(48C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(49A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(49B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(50C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(52C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(53A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(53B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(54C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(56C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(57A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(57B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(58C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(60C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(61A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(61B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(62C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(64C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(65A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(65B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66A)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66B)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, value "H(66C)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/00/02/8000227.cif data_8000227: NOTE, data item '_chemical_absolute_configuration' value "CHOOSE rm ad rmad syn or unk" must be one of the enumeration values [rm, ad, rmad, syn, unk, .]. /home/andrius/bin/cif_validate: ../8/00/02/8000242.cif data_8000242: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000242.cif data_8000242: NOTE, data item '_diffrn_detector_area_resol_mean' value "phi and omega scans" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/02/8000242.cif data_8000242: NOTE, data item '_diffrn_detector_area_resol_mean' value "phi and omega scans" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/00/02/8000242.cif data_8000242: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000242.cif data_8000242: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000242.cif data_8000242: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000242.cif data_8000242: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000242.cif data_8000242: NOTE, data item '_shelx_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000242.cif data_8000242: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000222.cif data_8000222: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000276.cif data_8000276: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000276.cif data_8000276: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000220.cif data_8000220: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000211.cif data_8000211: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000277.cif data_8000277: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000277.cif data_8000277: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000221.cif data_8000221: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000272.cif data_8000272: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000272.cif data_8000272: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000223.cif data_8000223: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000270.cif data_8000270: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000270.cif data_8000270: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_exptl_transmission_factor_max' value "not measured" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_exptl_transmission_factor_max' value "not measured" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_exptl_transmission_factor_min' value "not measured" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_exptl_transmission_factor_min' value "not measured" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_shelx_estimated_absorpt_t_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_shelx_estimated_absorpt_t_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000254.cif data_8000254: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000218.cif data_8000218: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000273.cif data_8000273: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000273.cif data_8000273: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000257.cif data_8000257: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000257.cif data_8000257: NOTE, data item '_shelx_estimated_absorpt_t_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000257.cif data_8000257: NOTE, data item '_shelx_estimated_absorpt_t_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000257.cif data_8000257: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000257.cif data_8000257: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000257.cif data_8000257: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000257.cif data_8000257: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000257.cif data_8000257: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000257.cif data_8000257: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000215.cif data_8000215: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000219.cif data_8000219: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000217.cif data_8000217: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000244.cif data_8000244: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000244.cif data_8000244: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000244.cif data_8000244: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000244.cif data_8000244: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000244.cif data_8000244: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000244.cif data_8000244: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000244.cif data_8000244: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000202.cif data_8000202: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000209.cif data_8000209: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000256.cif data_8000256: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000256.cif data_8000256: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000256.cif data_8000256: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000256.cif data_8000256: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000256.cif data_8000256: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000256.cif data_8000256: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000256.cif data_8000256: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000225.cif data_8000225: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000251.cif data_8000251: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000251.cif data_8000251: NOTE, data item '_shelx_estimated_absorpt_t_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000251.cif data_8000251: NOTE, data item '_shelx_estimated_absorpt_t_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000251.cif data_8000251: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000251.cif data_8000251: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000251.cif data_8000251: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000251.cif data_8000251: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000251.cif data_8000251: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000231.cif data_8000231: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000231.cif data_8000231: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000231.cif data_8000231: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000231.cif data_8000231: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000231.cif data_8000231: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_chemical_oxdiff_formula' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_exptl_oxdiff_crystal_face_indexfrac_h' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_exptl_oxdiff_crystal_face_indexfrac_k' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_exptl_oxdiff_crystal_face_indexfrac_l' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_exptl_oxdiff_crystal_face_x' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_exptl_oxdiff_crystal_face_y' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_exptl_oxdiff_crystal_face_z' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_oxdiff_exptl_absorpt_empirical_details' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_oxdiff_exptl_absorpt_empirical_full_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_oxdiff_exptl_absorpt_empirical_full_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_reflns_odcompleteness_completeness' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_reflns_odcompleteness_iscentric' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000275.cif data_8000275: NOTE, data item '_reflns_odcompleteness_theta' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000271.cif data_8000271: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000271.cif data_8000271: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000240.cif data_8000240: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000240.cif data_8000240: NOTE, data item '_shelx_estimated_absorpt_t_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000240.cif data_8000240: NOTE, data item '_shelx_estimated_absorpt_t_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000240.cif data_8000240: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000240.cif data_8000240: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000240.cif data_8000240: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000240.cif data_8000240: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000240.cif data_8000240: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000237.cif data_8000237: NOTE, data item '_exptl_crystal_density_diffrn' value "1.43960(6)" is not permitted to contain standard uncertainty "(6)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/00/02/8000237.cif data_8000237: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000237.cif data_8000237: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000237.cif data_8000237: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000237.cif data_8000237: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000269.cif data_8000269: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000269.cif data_8000269: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000224.cif data_8000224: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/00/02/8000230.cif data_8000230: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000230.cif data_8000230: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000230.cif data_8000230: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000230.cif data_8000230: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000230.cif data_8000230: NOTE, data item '_shelx_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000230.cif data_8000230: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000241.cif data_8000241: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000241.cif data_8000241: NOTE, data item '_shelx_estimated_absorpt_t_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000241.cif data_8000241: NOTE, data item '_shelx_estimated_absorpt_t_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000241.cif data_8000241: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000241.cif data_8000241: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000241.cif data_8000241: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000241.cif data_8000241: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000241.cif data_8000241: NOTE, data item '_shelx_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000241.cif data_8000241: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_iucr_refine_instructions_details' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_oxdiff_exptl_absorpt_empirical_details' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_oxdiff_exptl_absorpt_empirical_full_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_oxdiff_exptl_absorpt_empirical_full_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_reflns_odcompleteness_completeness' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_reflns_odcompleteness_iscentric' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_reflns_odcompleteness_theta' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_shelx_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000265.cif data_8000265: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_diffrn_reflns_Laue_measured_fraction_full' value "0.947" should be in range [0.95, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_diffrn_reflns_point_group_measured_fraction_full' value "0.947" should be in range [0.95, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_shelxl_version_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_smtbx_masks_void_average_x' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_smtbx_masks_void_average_y' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_smtbx_masks_void_average_z' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_smtbx_masks_void_count_electrons' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_smtbx_masks_void_nr' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000252.cif data_8000252: NOTE, data item '_smtbx_masks_void_volume' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000267.cif data_8000267: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000267.cif data_8000267: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000268.cif data_8000268: NOTE, data item '_olex2_refinement_description' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000268.cif data_8000268: NOTE, data item '_olex2_submission_special_instructions' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000205.cif data_8000205: NOTE, data item '_diffrn_measured_fraction_theta_full' value "1.0014" should be in range [0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000205.cif data_8000205: NOTE, data item '_diffrn_measured_fraction_theta_max' value "1.0014" should be in range [0, 1.0]. /home/andrius/bin/cif_validate: ../8/00/02/8000238.cif data_8000238: NOTE, data item '_space_group_symop_id' is mandatory in loop when data item(s) ['_space_group_symop_operation_xyz'] are defined according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but was not found. /home/andrius/bin/cif_validate: ../8/00/02/8000238.cif data_8000238: NOTE, data item '_shelx_estimated_absorpt_t_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000238.cif data_8000238: NOTE, data item '_shelx_estimated_absorpt_t_min' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000238.cif data_8000238: NOTE, data item '_shelx_hkl_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000238.cif data_8000238: NOTE, data item '_shelx_hkl_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000238.cif data_8000238: NOTE, data item '_shelx_res_checksum' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000238.cif data_8000238: NOTE, data item '_shelx_res_file' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/00/02/8000238.cif data_8000238: NOTE, data item '_shelx_space_group_comment' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C1A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C1B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C4A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C4B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C5A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C5B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C6A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C6B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C71A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C71B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C72A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C72B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C73A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C73B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C74A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C74B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C75A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C75B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C7A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C7B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "Cl72A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "Cl72B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "Cl76A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "Cl76B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "N8A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "N8B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "O2A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "O2B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "O3A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "O3B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "O9A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "O9B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C1A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C1B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C2A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C2B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C4A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C4B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C5A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C5B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C6A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C6B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C71A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C71B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C72A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C72B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C73A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C73B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C74A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C74B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C75A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C75B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C76A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C76B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C7A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "C7B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H4A1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H4A2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H4B1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H4B2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H5A1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H5A2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H5B1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H5B2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H73A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H73B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H74A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H74B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H75A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "H75B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "N8A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100397.cif data_8100397: NOTE, value "N8B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100363.cif data_8100363: NOTE, data item '_atom_site_calc_flag' value "S" must be one of the enumeration values [d, calc, c, dum] (15 times). /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(11)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(12)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(14)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(15)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(16)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(17)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(18)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(19)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(20)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(21)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(22)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(3)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(4)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(5)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(6)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(7)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(8)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "Cl(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "N(1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "N(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "N(3)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "O(1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "O(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "O(3)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(10)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(11)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(12)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(13)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(14)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(15)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(16)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(17)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(18)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(19)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(20)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(21)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(22)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(23)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(3)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(4)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(5)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(6)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(7)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(8)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "C(9)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "Cl(1)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "N(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "N(3)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "O(2)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100339.cif data_8100339: NOTE, value "O(3)" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100395.cif data_8100395: NOTE, value "H11A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100395.cif data_8100395: NOTE, value "H11B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100395.cif data_8100395: NOTE, value "H11C" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100395.cif data_8100395: NOTE, value "H21A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100395.cif data_8100395: NOTE, value "H21B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100395.cif data_8100395: NOTE, value "H21C" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100355.cif data_8100355: NOTE, data item '_atom_site_calc_flag' value "S" must be one of the enumeration values [d, calc, c, dum]. /home/andrius/bin/cif_validate: ../8/10/03/8100355.cif data_8100355: NOTE, data item '_atom_site_calc_flag' value "SP" must be one of the enumeration values [d, calc, c, dum]. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C10" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C11" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C12" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C13" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C14" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C15" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C16" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C17" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C18" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C19" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C20" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C21" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C22" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C23" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C24" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C7" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C8" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C9" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "N1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "N2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "N3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O10" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O11" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O12" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O13" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "P1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "P2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "P3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C10" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C11" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C12" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C14" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C15" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C16" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C17" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C18" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C19" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C21" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C22" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C23" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C24" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C6" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C7" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C8" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "C9" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H10" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H11" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H13" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H14" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H15" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H16" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H17" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H18" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H19" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H20" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H21" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H22" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H23" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H24" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H25" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H26" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H27" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H28" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H29" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H30" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H31" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H33" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H34" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H35" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H36" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H37" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H38" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H39" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H40" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H41" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H42" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H43" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H44" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H6" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H7" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H8" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "H9" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O6" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O7" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O8" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100334.cif data_8100334: NOTE, value "O9" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100364.cif data_8100364: NOTE, data item '_exptl_crystal_density_diffrn' value "4.5229(2)" is not permitted to contain standard uncertainty "(2)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/10/03/8100367.cif data_8100367: NOTE, value "Si1" of data item "_atom_site_label" is required as the data item is a parent of the "_atom_site_aniso_label" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100367.cif data_8100367: NOTE, value "Si1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100367.cif data_8100367: NOTE, value "Si1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100360.cif data_8100360: NOTE, data item '_exptl_crystal_density_diffrn' value "7.074(5)" is not permitted to contain standard uncertainty "(5)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/10/03/8100389.cif data_8100389: NOTE, data item '_atom_site_occupancy' value "2.00" should be in range [0.0, 1.0] (2 times). /home/andrius/bin/cif_validate: ../8/10/03/8100396.cif data_8100396: NOTE, value "H4A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100396.cif data_8100396: NOTE, value "H4B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100396.cif data_8100396: NOTE, value "H5A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100396.cif data_8100396: NOTE, value "H5B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/03/8100304.cif data_8100304: NOTE, data item '_atom_site_calc_flag' value "S" must be one of the enumeration values [d, calc, c, dum]. /home/andrius/bin/cif_validate: ../8/10/03/8100366.cif data_8100366: NOTE, data item '_atom_sites_solution_primary' value "isotypism to CaBr~2~dcot 6 CH~3~OH" must be one of the enumeration values [difmap, vecmap, heavy, direct, geom, disper, isomor, notdet, dual, iterative, other]. /home/andrius/bin/cif_validate: ../8/10/03/8100366.cif data_8100366: NOTE, data item '_atom_sites_solution_secondary' value "none" must be one of the enumeration values [difmap, vecmap, heavy, direct, geom, disper, isomor, notdet, dual, iterative, other]. /home/andrius/bin/cif_validate: ../8/10/40/8104060.cif data_8104060: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104000.cif data_8104000: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104040.cif data_8104040: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104009.cif data_8104009: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104008.cif data_8104008: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104058.cif data_8104058: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104093.cif data_8104093: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104028.cif data_8104028: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104083.cif data_8104083: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104084.cif data_8104084: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104088.cif data_8104088: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104099.cif data_8104099: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104062.cif data_8104062: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104071.cif data_8104071: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104052.cif data_8104052: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104052.cif data_8104052: NOTE, data item '_atom_site_occupancy' value "1.00008" should be in range [0.0, 1.0] (2 times). /home/andrius/bin/cif_validate: ../8/10/40/8104064.cif data_8104064: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104038.cif data_8104038: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104031.cif data_8104031: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104027.cif data_8104027: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104007.cif data_8104007: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104044.cif data_8104044: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104044.cif data_8104044: NOTE, data item '_atom_site_occupancy' value "1.00001" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/40/8104072.cif data_8104072: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104006.cif data_8104006: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104042.cif data_8104042: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104017.cif data_8104017: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104082.cif data_8104082: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104018.cif data_8104018: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104067.cif data_8104067: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104024.cif data_8104024: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104013.cif data_8104013: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104034.cif data_8104034: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104014.cif data_8104014: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104001.cif data_8104001: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104025.cif data_8104025: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104090.cif data_8104090: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104081.cif data_8104081: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104045.cif data_8104045: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104023.cif data_8104023: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104079.cif data_8104079: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104079.cif data_8104079: NOTE, data item '_atom_site_occupancy' value "1.05" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/40/8104057.cif data_8104057: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104004.cif data_8104004: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104029.cif data_8104029: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104097.cif data_8104097: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104016.cif data_8104016: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104055.cif data_8104055: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104035.cif data_8104035: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104015.cif data_8104015: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104074.cif data_8104074: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104026.cif data_8104026: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104092.cif data_8104092: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104053.cif data_8104053: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104095.cif data_8104095: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104051.cif data_8104051: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104051.cif data_8104051: NOTE, data item '_atom_site_occupancy' value "1.00002" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/40/8104051.cif data_8104051: NOTE, data item '_atom_site_occupancy' value "1.00008" should be in range [0.0, 1.0] (3 times). /home/andrius/bin/cif_validate: ../8/10/40/8104077.cif data_8104077: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104050.cif data_8104050: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104050.cif data_8104050: NOTE, data item '_atom_site_occupancy' value "1.00002" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/40/8104050.cif data_8104050: NOTE, data item '_atom_site_occupancy' value "1.00008" should be in range [0.0, 1.0] (3 times). /home/andrius/bin/cif_validate: ../8/10/40/8104010.cif data_8104010: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104080.cif data_8104080: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104047.cif data_8104047: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104056.cif data_8104056: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104069.cif data_8104069: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104011.cif data_8104011: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104065.cif data_8104065: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104005.cif data_8104005: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104012.cif data_8104012: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104022.cif data_8104022: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104094.cif data_8104094: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104059.cif data_8104059: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104059.cif data_8104059: NOTE, data item '_atom_site_occupancy' value "1.01" should be in range [0.0, 1.0] (3 times). /home/andrius/bin/cif_validate: ../8/10/40/8104036.cif data_8104036: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104046.cif data_8104046: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104076.cif data_8104076: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104068.cif data_8104068: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104030.cif data_8104030: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104041.cif data_8104041: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104020.cif data_8104020: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104091.cif data_8104091: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104089.cif data_8104089: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104054.cif data_8104054: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104066.cif data_8104066: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104037.cif data_8104037: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104086.cif data_8104086: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104061.cif data_8104061: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104033.cif data_8104033: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104063.cif data_8104063: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104078.cif data_8104078: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104049.cif data_8104049: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104049.cif data_8104049: NOTE, data item '_atom_site_occupancy' value "1.00002" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/40/8104049.cif data_8104049: NOTE, data item '_atom_site_occupancy' value "1.00008" should be in range [0.0, 1.0] (3 times). /home/andrius/bin/cif_validate: ../8/10/40/8104032.cif data_8104032: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104096.cif data_8104096: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104087.cif data_8104087: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104019.cif data_8104019: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104098.cif data_8104098: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104043.cif data_8104043: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104085.cif data_8104085: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104003.cif data_8104003: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104002.cif data_8104002: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104048.cif data_8104048: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104048.cif data_8104048: NOTE, data item '_atom_site_occupancy' value "1.00002" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/40/8104048.cif data_8104048: NOTE, data item '_atom_site_occupancy' value "1.00008" should be in range [0.0, 1.0] (3 times). /home/andrius/bin/cif_validate: ../8/10/40/8104070.cif data_8104070: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104021.cif data_8104021: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104073.cif data_8104073: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104075.cif data_8104075: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/40/8104039.cif data_8104039: NOTE, data item '_citation_journal_id_ASTM' must be in a loop according to '/home/andrius/cif/dictionaries/CIF-dictionaries/IUCr/cif_core.dic' but is not in a loop. /home/andrius/bin/cif_validate: ../8/10/04/8100494.cif data_8100494: NOTE, data item '_chemical_formula_structure' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/04/8100469.cif data_8100469: NOTE, value "O4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/04/8100419.cif data_8100419: NOTE, data item '_exptl_crystal_density_diffrn' value "4.17(1)" is not permitted to contain standard uncertainty "(1)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/10/09/8100922.cif data_8100922: NOTE, data item '_atom_site_calc_flag' value "S" must be one of the enumeration values [d, calc, c, dum] (4 times). /home/andrius/bin/cif_validate: ../8/10/09/8100923.cif data_8100923: NOTE, data item '_diffrn_delta_phi' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/09/8100923.cif data_8100923: NOTE, data item '_diffrn_phi_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/09/8100923.cif data_8100923: NOTE, data item '_diffrn_plate_measurement_time' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/09/8100923.cif data_8100923: NOTE, data item '_diffrn_plate_number' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/09/8100987.cif data_8100987: NOTE, data item '_atom_site_occupancy' value "1.054(13)" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/09/8100987.cif data_8100987: NOTE, data item '_atom_site_occupancy' value "1.062(6)" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/09/8100918.cif data_8100918: NOTE, data item '_chemical_formula_structure' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/09/8100956.cif data_8100956: NOTE, value "H6a" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/09/8100921.cif data_8100921: NOTE, value "C1" of data item "_atom_site_label" is required as the data item is a parent of the "_atom_site_aniso_label" data item. /home/andrius/bin/cif_validate: ../8/10/09/8100921.cif data_8100921: NOTE, value "c1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/09/8100921.cif data_8100921: NOTE, value "c1A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/09/8100921.cif data_8100921: NOTE, value "c1B" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/09/8100921.cif data_8100921: NOTE, value "c1C" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101693.cif data_8101693: NOTE, value "O5W" of data item "_atom_site_label" is required as the data item is a parent of the "_atom_site_aniso_label" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101695.cif data_8101695: NOTE, data item '_diffrn_detector_area_resol_mean' value " 18 # 9 for binned mode " is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/16/8101695.cif data_8101695: NOTE, data item '_diffrn_detector_area_resol_mean' value " 18 # 9 for binned mode " should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/16/8101695.cif data_8101695: NOTE, data item '_exptl_absorpt_correction_T_max' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/16/8101695.cif data_8101695: NOTE, data item '_exptl_absorpt_correction_T_max' value "none" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/16/8101695.cif data_8101695: NOTE, data item '_exptl_absorpt_correction_T_min' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/16/8101695.cif data_8101695: NOTE, data item '_exptl_absorpt_correction_T_min' value "none" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/16/8101628.cif data_8101628: NOTE, data item '_exptl_crystal_density_diffrn' value "1.9681(7)" is not permitted to contain standard uncertainty "(7)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/10/16/8101684.cif data_8101684: NOTE, data item '_exptl_absorpt_correction_type' value "\DF (DIFABS; Walker & Stuart, 1983[6])" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/10/16/8101694.cif data_8101694: NOTE, data item '_diffrn_detector_area_resol_mean' value "18 # 9 for binned mode" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/16/8101694.cif data_8101694: NOTE, data item '_diffrn_detector_area_resol_mean' value "18 # 9 for binned mode" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/16/8101694.cif data_8101694: NOTE, data item '_exptl_absorpt_correction_T_max' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/16/8101694.cif data_8101694: NOTE, data item '_exptl_absorpt_correction_T_max' value "none" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/16/8101694.cif data_8101694: NOTE, data item '_exptl_absorpt_correction_T_min' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/16/8101694.cif data_8101694: NOTE, data item '_exptl_absorpt_correction_T_min' value "none" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/16/8101629.cif data_8101629: NOTE, data item '_exptl_crystal_density_diffrn' value "3.4482(6)" is not permitted to contain standard uncertainty "(6)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/10/16/8101673.cif data_8101673: NOTE, data item '_refine_ls_hydrogen_treatment' value "free" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/10/16/8101691.cif data_8101691: NOTE, data item '_exptl_absorpt_correction_type' value "psi-scans (A.C.T. North et al. 1968)" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/10/16/8101626.cif data_8101626: NOTE, data item '_exptl_crystal_density_diffrn' value "6.555(12)" is not permitted to contain standard uncertainty "(12)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/10/16/8101674.cif data_8101674: NOTE, value "H5A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101674.cif data_8101674: NOTE, value "H2A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101674.cif data_8101674: NOTE, value "H3A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101674.cif data_8101674: NOTE, value "H4A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101674.cif data_8101674: NOTE, value "H5A" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101660.cif data_8101660: NOTE, value "CL" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101675.cif data_8101675: NOTE, data item '_diffrn_reflns_av_R_equivalents' value "-2.0820" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/16/8101625.cif data_8101625: NOTE, data item '_exptl_crystal_density_meas' value "8.06 (3)" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/16/8101616.cif data_8101616: NOTE, value "Ga1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101616.cif data_8101616: NOTE, value "Sr1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101616.cif data_8101616: NOTE, value "Sr2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101616.cif data_8101616: NOTE, value "O1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101616.cif data_8101616: NOTE, value "O2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101616.cif data_8101616: NOTE, data item '_pd_proc_ls_prof_r_factor_on_f' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/16/8101616.cif data_8101616: NOTE, data item '_pd_proc_ls_prof_r_factor_on_i' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/16/8101622.cif data_8101622: NOTE, value "P1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101622.cif data_8101622: NOTE, value "P1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101677.cif data_8101677: NOTE, data item '_exptl_absorpt_correction_type' value "Semi-empirical" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/10/16/8101677.cif data_8101677: NOTE, data item '_publ_section_experimental_prep' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/16/8101677.cif data_8101677: NOTE, data item '_refine_ls_hydrogen_treatment' value "Riding model, fixed isotropic U" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/10/16/8101677.cif data_8101677: NOTE, data item '_refine_ls_shift/esd_max' value "-0.012" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/16/8101630.cif data_8101630: NOTE, data item '_exptl_crystal_density_diffrn' value "5.6593(2)" is not permitted to contain standard uncertainty "(2)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/10/16/8101642.cif data_8101642: NOTE, data item '_exptl_crystal_density_diffrn' value "2.14 g.cm^-3^" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/16/8101642.cif data_8101642: NOTE, data item '_exptl_crystal_density_diffrn' value "2.14 g.cm^-3^" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/16/8101632.cif data_8101632: NOTE, data item '_exptl_crystal_density_diffrn' value "4.5890(1)" is not permitted to contain standard uncertainty "(1)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/10/16/8101617.cif data_8101617: NOTE, data item '_pd_proc_ls_prof_r_factor_on_f' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/16/8101617.cif data_8101617: NOTE, data item '_pd_proc_ls_prof_r_factor_on_i' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/16/8101631.cif data_8101631: NOTE, data item '_exptl_crystal_density_diffrn' value "4.0797(6)" is not permitted to contain standard uncertainty "(6)" -- standard uncertainty will be ignored in further validation. /home/andrius/bin/cif_validate: ../8/10/16/8101615.cif data_8101615: NOTE, value "Ga1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101615.cif data_8101615: NOTE, value "Ga2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101615.cif data_8101615: NOTE, value "Sr1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101615.cif data_8101615: NOTE, value "O1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101615.cif data_8101615: NOTE, value "O2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101615.cif data_8101615: NOTE, value "O3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101615.cif data_8101615: NOTE, data item '_pd_proc_ls_prof_r_factor_on_f' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/16/8101615.cif data_8101615: NOTE, data item '_pd_proc_ls_prof_r_factor_on_i' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/16/8101697.cif data_8101697: NOTE, value "C" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101697.cif data_8101697: NOTE, value "H" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101697.cif data_8101697: NOTE, value "N" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101697.cif data_8101697: NOTE, value "O" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/16/8101676.cif data_8101676: NOTE, data item '_refine_ls_hydrogen_treatment' value "Riding model, fixed isotropic U" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/10/16/8101676.cif data_8101676: NOTE, data item '_refine_ls_shift/esd_max' value "-0.300" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101784.cif data_8101784: NOTE, data item '_diffrn_standards_decay_%' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101784.cif data_8101784: NOTE, data item '_diffrn_standards_decay_%' value "none" should be in range (-inf, 100]. /home/andrius/bin/cif_validate: ../8/10/17/8101784.cif data_8101784: NOTE, data item '_diffrn_standards_interval_count' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101784.cif data_8101784: NOTE, data item '_diffrn_standards_interval_count' value "none" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101784.cif data_8101784: NOTE, data item '_diffrn_standards_interval_time' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101784.cif data_8101784: NOTE, data item '_diffrn_standards_interval_time' value "none" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101784.cif data_8101784: NOTE, data item '_diffrn_standards_number' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101784.cif data_8101784: NOTE, data item '_diffrn_standards_number' value "none" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101784.cif data_8101784: NOTE, data item '_refine_ls_r_factor_ref' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101765.cif data_8101765: NOTE, data item '_diffrn_standards_number' value "50-200" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101765.cif data_8101765: NOTE, data item '_diffrn_standards_number' value "50-200" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101756.cif data_8101756: NOTE, data item '_refine_ls_hydrogen_treatment' value "riding" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/10/17/8101779.cif data_8101779: NOTE, data item '_refine_ls_shift/su_max' value "<0.001" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101779.cif data_8101779: NOTE, data item '_refine_ls_shift/su_max' value "<0.001" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101727.cif data_8101727: NOTE, data item '_diffrn_standards_decay_%' value "no" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101727.cif data_8101727: NOTE, data item '_diffrn_standards_decay_%' value "no" should be in range (-inf, 100]. /home/andrius/bin/cif_validate: ../8/10/17/8101782.cif data_8101782: NOTE, data item '_atom_sites_solution_hydrogens' value " H atoms were placed at standard calculated positions, except atoms H(N4) and N(11) which were obtained from difference map." must be one of the enumeration values [difmap, vecmap, heavy, direct, geom, disper, isomor, mixed, notdet, dual, iterative, other]. /home/andrius/bin/cif_validate: ../8/10/17/8101778.cif data_8101778: NOTE, value "C" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101778.cif data_8101778: NOTE, value "H" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101778.cif data_8101778: NOTE, value "N" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101778.cif data_8101778: NOTE, value "O" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101778.cif data_8101778: NOTE, data item '_refine_ls_r_factor_ref' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101778.cif data_8101778: NOTE, data item '_reflns_number_all' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101786.cif data_8101786: NOTE, data item '_diffrn_measd_fraction_theta_full' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101786.cif data_8101786: NOTE, data item '_diffrn_measd_fraction_theta_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101706.cif data_8101706: NOTE, data item '_exptl_absorpt_correction_type' value "DIFABS by Walker & Stuart, 1983" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/10/17/8101797.cif data_8101797: NOTE, data item '_refine_ls_shift/su_mean' value "<0.001" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101797.cif data_8101797: NOTE, data item '_refine_ls_shift/su_mean' value "<0.001" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101723.cif data_8101723: NOTE, data item '_refine_ls_hydrogen_treatment' value "riding" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/10/17/8101723.cif data_8101723: NOTE, data item '_refine_ls_shift/esd_max' value "-0.023" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101758.cif data_8101758: NOTE, data item '_diffrn_measured_fraction_theta_full' value "1.3346" should be in range [0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/17/8101758.cif data_8101758: NOTE, data item '_diffrn_measured_fraction_theta_max' value "1.3346" should be in range [0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/17/8101758.cif data_8101758: NOTE, data item '_exptl_absorpt_correction_type' value "SADABS [2]" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/10/17/8101776.cif data_8101776: NOTE, data item '_diffrn_measd_fraction_theta_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101776.cif data_8101776: NOTE, data item '_diffrn_standards_decay_%' value "<2.0" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101776.cif data_8101776: NOTE, data item '_diffrn_standards_decay_%' value "<2.0" should be in range (-inf, 100]. /home/andrius/bin/cif_validate: ../8/10/17/8101724.cif data_8101724: NOTE, value "F2'" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101724.cif data_8101724: NOTE, value "F2'" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101799.cif data_8101799: NOTE, value "Cg1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_hbond_atom_site_label_A" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101799.cif data_8101799: NOTE, value "Cg2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_hbond_atom_site_label_A" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101799.cif data_8101799: NOTE, data item '_diffrn_standards_interval_count' value "200 (orientation)" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101799.cif data_8101799: NOTE, data item '_diffrn_standards_interval_time' value "120 min (intensity)" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101799.cif data_8101799: NOTE, data item '_diffrn_standards_interval_time' value "120 min (intensity)" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101799.cif data_8101799: NOTE, data item '_diffrn_standards_number' value "3 (orientation), 2 (intensity)" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101799.cif data_8101799: NOTE, data item '_refine_ls_hydrogen_treatment' value "riding" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "NI3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, value "CL5" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101755.cif data_8101755: NOTE, data item '_exptl_absorpt_correction_type' value "SADABS" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/10/17/8101704.cif data_8101704: NOTE, data item '_refine_ls_hydrogen_treatment' value "mixed; refined at N1, N2 and O1" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/10/17/8101740.cif data_8101740: NOTE, data item '_diffrn_standards_decay_%' value "random variation +/-2.0" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101740.cif data_8101740: NOTE, data item '_diffrn_standards_decay_%' value "random variation +/-2.0" should be in range (-inf, 100]. /home/andrius/bin/cif_validate: ../8/10/17/8101739.cif data_8101739: NOTE, data item '_refine_ls_hydrogen_treatment' value "riding C-H" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/10/17/8101793.cif data_8101793: NOTE, data item '_oxford_diffrn_Wilson_B_factor' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101793.cif data_8101793: NOTE, data item '_oxford_diffrn_Wilson_scale' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101793.cif data_8101793: NOTE, data item '_oxford_refine_ls_scale' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101795.cif data_8101795: NOTE, data item '_chemical_name_structural' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101795.cif data_8101795: NOTE, data item '_refine_ls_shift/su_mean' value "<0.001" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101795.cif data_8101795: NOTE, data item '_refine_ls_shift/su_mean' value "<0.001" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_angle_atom_site_label_3" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "NI3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_1" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL1" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL2" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL3" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "CL4" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_bond_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101788.cif data_8101788: NOTE, value "01" of data item "_atom_site_label" is required as the data item is a parent of the "_geom_contact_atom_site_label_2" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101737.cif data_8101737: NOTE, data item '_publ_section_refinement' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101775.cif data_8101775: NOTE, data item '_diffrn_msd_fraction_theta_full' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101775.cif data_8101775: NOTE, data item '_diffrn_msd_fraction_theta_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101763.cif data_8101763: NOTE, data item '_diffrn_standards_decay_%' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101763.cif data_8101763: NOTE, data item '_diffrn_standards_decay_%' value "none" should be in range (-inf, 100]. /home/andrius/bin/cif_validate: ../8/10/17/8101763.cif data_8101763: NOTE, data item '_diffrn_standards_interval_count' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101763.cif data_8101763: NOTE, data item '_diffrn_standards_interval_count' value "none" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101763.cif data_8101763: NOTE, data item '_diffrn_standards_interval_time' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101763.cif data_8101763: NOTE, data item '_diffrn_standards_interval_time' value "none" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101763.cif data_8101763: NOTE, data item '_diffrn_standards_number' value "none" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101763.cif data_8101763: NOTE, data item '_diffrn_standards_number' value "none" should be in range [0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101763.cif data_8101763: NOTE, data item '_exptl_absorpt_correction_T_min' value "-.0811" should be in range [0.0, 1.0]. /home/andrius/bin/cif_validate: ../8/10/17/8101777.cif data_8101777: NOTE, data item '_diffrn_measd_fraction_theta_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101777.cif data_8101777: NOTE, data item '_diffrn_standards_decay_%' value "<2.0" is of type 'UQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101777.cif data_8101777: NOTE, data item '_diffrn_standards_decay_%' value "<2.0" should be in range (-inf, 100]. /home/andrius/bin/cif_validate: ../8/10/17/8101714.cif data_8101714: NOTE, data item '_exptl_absorpt_correction_type' value "semi empirical" must be one of the enumeration values [analytical, cylinder, empirical, gaussian, integration, multi-scan, none, numerical, psi-scan, refdelf, sphere]. /home/andrius/bin/cif_validate: ../8/10/17/8101787.cif data_8101787: NOTE, data item '_diffrn_measd_fraction_theta_full' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101787.cif data_8101787: NOTE, data item '_diffrn_measd_fraction_theta_max' was not found in the provided dictionaries. /home/andrius/bin/cif_validate: ../8/10/17/8101773.cif data_8101773: NOTE, data item '_refine_ls_hydrogen_treatment' value "riding" must be one of the enumeration values [refall, refxyz, refU, noref, constr, hetero, heteroxyz, heteroU, heteronoref, hetero-mixed, heteroxyz-mixed, heteroU-mixed, heteronoref-mixed, mixed, undef]. /home/andrius/bin/cif_validate: ../8/10/17/8101709.cif data_8101709: NOTE, data item '_refine_ls_shift/su_max' value "-0.001" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101718.cif data_8101718: NOTE, value "F" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101718.cif data_8101718: NOTE, value "S" of data item "_atom_type_symbol" is required as the data item is a parent of the "_atom_site_type_symbol" data item. /home/andrius/bin/cif_validate: ../8/10/17/8101741.cif data_8101741: NOTE, data item '_diffrn_detector_area_resol_mean' value "scintillation LiI" is of type 'SQSTRING' while it should be numeric, i.e. 'FLOAT' or 'INT'. /home/andrius/bin/cif_validate: ../8/10/17/8101741.cif data_8101741: NOTE, data item '_diffrn_detector_area_resol_mean' value "scintillation LiI" should be in range [0.0, +inf). /home/andrius/bin/cif_validate: ../8/10/17/8101741.cif data_8101741: NOTE, data item '_diffrn_standards_decay_%' value "0.983