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Modulated structures dictionary (msCIF) version 3.2.1 definitions
Definitions are arranged alphabetically by category and within category.- Revision history
- Category structure
- MS_GROUP
- ATOM_SITE [defined in ]
- _atom_site.displace_modulation_flag
- _atom_site.occ_modulation_flag
- _atom_site.subsystem_code
- _atom_site.U_modulation_flag
- ATOM_SITE_DISPLACE_FOURIER
- _atom_site_displace_Fourier.atom_site_label
- _atom_site_displace_Fourier.axis
- _atom_site_displace_Fourier.id
- _atom_site_displace_Fourier.matrix_seq_id
- _atom_site_displace_Fourier.wave_vector_seq_id
- ATOM_SITE_DISPLACE_FOURIER_PARAM
- _atom_site_displace_Fourier_param.cos
- _atom_site_displace_Fourier_param.id
- _atom_site_displace_Fourier_param.modulus
- _atom_site_displace_Fourier_param.phase
- _atom_site_displace_Fourier_param.sin
- ATOM_SITE_DISPLACE_LEGENDRE
- _atom_site_displace_Legendre.atom_site_label
- _atom_site_displace_Legendre.axis
- _atom_site_displace_Legendre.coeff
- _atom_site_displace_Legendre.id
- _atom_site_displace_Legendre.matrix_seq_id
- _atom_site_displace_Legendre.order
- ATOM_SITE_DISPLACE_ORTHO
- _atom_site_displace_ortho.atom_site_label
- _atom_site_displace_ortho.axis
- _atom_site_displace_ortho.coeff
- _atom_site_displace_ortho.func_id
- _atom_site_displace_ortho.id
- _atom_site_displace_ortho.matrix_seq_id
- ATOM_SITE_DISPLACE_SPECIAL_FUNC
- _atom_site_displace_special_func.atom_site_label
- _atom_site_displace_special_func.matrix_seq_id
- _atom_site_displace_special_func.sawtooth
- _atom_site_displace_special_func.sawtooth_ax
- _atom_site_displace_special_func.sawtooth_axyz
- _atom_site_displace_special_func.sawtooth_ay
- _atom_site_displace_special_func.sawtooth_az
- _atom_site_displace_special_func.sawtooth_c
- _atom_site_displace_special_func.sawtooth_w
- _atom_site_displace_special_func.zigzag
- _atom_site_displace_special_func.zigzag_axyz
- _atom_site_displace_special_func.zigzag_c
- _atom_site_displace_special_func.zigzag_w
- ATOM_SITE_DISPLACE_XHARM
- _atom_site_displace_xharm.atom_site_label
- _atom_site_displace_xharm.axis
- _atom_site_displace_xharm.coeff
- _atom_site_displace_xharm.id
- _atom_site_displace_xharm.matrix_seq_id
- _atom_site_displace_xharm.order
- ATOM_SITE_FOURIER_WAVE_VECTOR
- _atom_site_Fourier_wave_vector.description
- _atom_site_Fourier_wave_vector.q_coeff
- _atom_site_Fourier_wave_vector.q_coeff_seq_id
- _atom_site_Fourier_wave_vector.seq_id
- _atom_site_Fourier_wave_vector.x
- _atom_site_Fourier_wave_vector.xyz
- _atom_site_Fourier_wave_vector.y
- _atom_site_Fourier_wave_vector.z
- ATOM_SITE_OCC_FOURIER
- _atom_site_occ_Fourier.atom_site_label
- _atom_site_occ_Fourier.id
- _atom_site_occ_Fourier.wave_vector_seq_id
- ATOM_SITE_OCC_FOURIER_PARAM
- _atom_site_occ_Fourier_param.cos
- _atom_site_occ_Fourier_param.id
- _atom_site_occ_Fourier_param.modulus
- _atom_site_occ_Fourier_param.phase
- _atom_site_occ_Fourier_param.sin
- ATOM_SITE_OCC_LEGENDRE
- _atom_site_occ_Legendre.atom_site_label
- _atom_site_occ_Legendre.coeff
- _atom_site_occ_Legendre.id
- _atom_site_occ_Legendre.order
- ATOM_SITE_OCC_ORTHO
- _atom_site_occ_ortho.atom_site_label
- _atom_site_occ_ortho.coeff
- _atom_site_occ_ortho.func_id
- _atom_site_occ_ortho.id
- ATOM_SITE_OCC_SPECIAL_FUNC
- _atom_site_occ_special_func.atom_site_label
- _atom_site_occ_special_func.crenel_c
- _atom_site_occ_special_func.crenel_ortho_eps
- _atom_site_occ_special_func.crenel_w
- ATOM_SITE_OCC_XHARM
- _atom_site_occ_xharm.atom_site_label
- _atom_site_occ_xharm.coeff
- _atom_site_occ_xharm.id
- _atom_site_occ_xharm.order
- ATOM_SITE_PHASON
- ATOM_SITE_ROT_FOURIER
- _atom_site_rot_Fourier.atom_site_label
- _atom_site_rot_Fourier.axis
- _atom_site_rot_Fourier.matrix_seq_id
- _atom_site_rot_Fourier.wave_vector_seq_id
- ATOM_SITE_ROT_FOURIER_PARAM
- _atom_site_rot_Fourier_param.cos
- _atom_site_rot_Fourier_param.id
- _atom_site_rot_Fourier_param.modulus
- _atom_site_rot_Fourier_param.phase
- _atom_site_rot_Fourier_param.sin
- ATOM_SITE_ROT_LEGENDRE
- _atom_site_rot_Legendre.atom_site_label
- _atom_site_rot_Legendre.axis
- _atom_site_rot_Legendre.coeff
- _atom_site_rot_Legendre.id
- _atom_site_rot_Legendre.matrix_seq_id
- _atom_site_rot_Legendre.order
- ATOM_SITE_ROT_ORTHO
- _atom_site_rot_ortho.atom_site_label
- _atom_site_rot_ortho.axis
- _atom_site_rot_ortho.coeff
- _atom_site_rot_ortho.func_id
- _atom_site_rot_ortho.id
- _atom_site_rot_ortho.matrix_seq_id
- ATOM_SITE_ROT_SPECIAL_FUNC
- _atom_site_rot_special_func.atom_site_label
- _atom_site_rot_special_func.matrix_seq_id
- _atom_site_rot_special_func.sawtooth
- _atom_site_rot_special_func.sawtooth_ax
- _atom_site_rot_special_func.sawtooth_axyz
- _atom_site_rot_special_func.sawtooth_ay
- _atom_site_rot_special_func.sawtooth_az
- _atom_site_rot_special_func.sawtooth_c
- _atom_site_rot_special_func.sawtooth_w
- _atom_site_rot_special_func.zigzag
- _atom_site_rot_special_func.zigzag_axyz
- _atom_site_rot_special_func.zigzag_c
- _atom_site_rot_special_func.zigzag_w
- ATOM_SITE_ROT_XHARM
- _atom_site_rot_xharm.atom_site_label
- _atom_site_rot_xharm.axis
- _atom_site_rot_xharm.coeff
- _atom_site_rot_xharm.id
- _atom_site_rot_xharm.matrix_seq_id
- _atom_site_rot_xharm.order
- ATOM_SITE_U_FOURIER
- _atom_site_U_Fourier.atom_site_label
- _atom_site_U_Fourier.id
- _atom_site_U_Fourier.tens_elem
- _atom_site_U_Fourier.wave_vector_seq_id
- ATOM_SITE_U_FOURIER_PARAM
- _atom_site_U_Fourier_param.cos
- _atom_site_U_Fourier_param.id
- _atom_site_U_Fourier_param.modulus
- _atom_site_U_Fourier_param.phase
- _atom_site_U_Fourier_param.sin
- ATOM_SITE_U_LEGENDRE
- _atom_site_U_Legendre.atom_site_label
- _atom_site_U_Legendre.coeff
- _atom_site_U_Legendre.id
- _atom_site_U_Legendre.order
- _atom_site_U_Legendre.tens_elem
- ATOM_SITE_U_ORTHO
- _atom_site_U_ortho.atom_site_label
- _atom_site_U_ortho.coeff
- _atom_site_U_ortho.func_id
- _atom_site_U_ortho.id
- _atom_site_U_ortho.tens_elem
- ATOM_SITE_U_XHARM
- _atom_site_U_xharm.atom_site_label
- _atom_site_rot_U_xharm.coeff
- _atom_site_U_xharm.id
- _atom_site_U_xharm.order
- _atom_site_U_xharm.tens_elem
- ATOM_SITES_AXES
- ATOM_SITES_DISPLACE_FOURIER
- ATOM_SITES_MODULATION
- _atom_sites_modulation.global_phase_list
- _atom_sites_modulation.global_phase_t_1
- _atom_sites_modulation.global_phase_t_2
- _atom_sites_modulation.global_phase_t_3
- _atom_sites_modulation.global_phase_t_4
- _atom_sites_modulation.global_phase_t_5
- _atom_sites_modulation.global_phase_t_6
- _atom_sites_modulation.global_phase_t_7
- _atom_sites_modulation.global_phase_t_8
- ATOM_SITES_ORTHO
- _atom_sites_ortho.coeff_cos_list
- _atom_sites_ortho.coeff_sin_list
- _atom_sites_ortho.func_id
- _atom_sites_ortho.wave_vector_seq_id
- _atom_sites_ortho.wave_vector_seq_id_list
- ATOM_SITES_ROT_FOURIER
- CELL [defined in ]
- CELL_SUBSYSTEM
- _cell_subsystem.code
- _cell_subsystem.description
- _cell_subsystem.matrix_W
- _cell_subsystem.matrix_W_10_1
- _cell_subsystem.matrix_W_10_10
- _cell_subsystem.matrix_W_10_11
- _cell_subsystem.matrix_W_10_2
- _cell_subsystem.matrix_W_10_3
- _cell_subsystem.matrix_W_10_4
- _cell_subsystem.matrix_W_10_5
- _cell_subsystem.matrix_W_10_6
- _cell_subsystem.matrix_W_10_7
- _cell_subsystem.matrix_W_10_8
- _cell_subsystem.matrix_W_10_9
- _cell_subsystem.matrix_W_11_1
- _cell_subsystem.matrix_W_11_10
- _cell_subsystem.matrix_W_11_11
- _cell_subsystem.matrix_W_11_2
- _cell_subsystem.matrix_W_11_3
- _cell_subsystem.matrix_W_11_4
- _cell_subsystem.matrix_W_11_5
- _cell_subsystem.matrix_W_11_6
- _cell_subsystem.matrix_W_11_7
- _cell_subsystem.matrix_W_11_8
- _cell_subsystem.matrix_W_11_9
- _cell_subsystem.matrix_W_1_1
- _cell_subsystem.matrix_W_1_10
- _cell_subsystem.matrix_W_1_11
- _cell_subsystem.matrix_W_1_2
- _cell_subsystem.matrix_W_1_3
- _cell_subsystem.matrix_W_1_4
- _cell_subsystem.matrix_W_1_5
- _cell_subsystem.matrix_W_1_6
- _cell_subsystem.matrix_W_1_7
- _cell_subsystem.matrix_W_1_8
- _cell_subsystem.matrix_W_1_9
- _cell_subsystem.matrix_W_2_1
- _cell_subsystem.matrix_W_2_10
- _cell_subsystem.matrix_W_2_11
- _cell_subsystem.matrix_W_2_2
- _cell_subsystem.matrix_W_2_3
- _cell_subsystem.matrix_W_2_4
- _cell_subsystem.matrix_W_2_5
- _cell_subsystem.matrix_W_2_6
- _cell_subsystem.matrix_W_2_7
- _cell_subsystem.matrix_W_2_8
- _cell_subsystem.matrix_W_2_9
- _cell_subsystem.matrix_W_3_1
- _cell_subsystem.matrix_W_3_10
- _cell_subsystem.matrix_W_3_11
- _cell_subsystem.matrix_W_3_2
- _cell_subsystem.matrix_W_3_3
- _cell_subsystem.matrix_W_3_4
- _cell_subsystem.matrix_W_3_5
- _cell_subsystem.matrix_W_3_6
- _cell_subsystem.matrix_W_3_7
- _cell_subsystem.matrix_W_3_8
- _cell_subsystem.matrix_W_3_9
- _cell_subsystem.matrix_W_4_1
- _cell_subsystem.matrix_W_4_10
- _cell_subsystem.matrix_W_4_11
- _cell_subsystem.matrix_W_4_2
- _cell_subsystem.matrix_W_4_3
- _cell_subsystem.matrix_W_4_4
- _cell_subsystem.matrix_W_4_5
- _cell_subsystem.matrix_W_4_6
- _cell_subsystem.matrix_W_4_7
- _cell_subsystem.matrix_W_4_8
- _cell_subsystem.matrix_W_4_9
- _cell_subsystem.matrix_W_5_1
- _cell_subsystem.matrix_W_5_10
- _cell_subsystem.matrix_W_5_11
- _cell_subsystem.matrix_W_5_2
- _cell_subsystem.matrix_W_5_3
- _cell_subsystem.matrix_W_5_4
- _cell_subsystem.matrix_W_5_5
- _cell_subsystem.matrix_W_5_6
- _cell_subsystem.matrix_W_5_7
- _cell_subsystem.matrix_W_5_8
- _cell_subsystem.matrix_W_5_9
- _cell_subsystem.matrix_W_6_1
- _cell_subsystem.matrix_W_6_10
- _cell_subsystem.matrix_W_6_11
- _cell_subsystem.matrix_W_6_2
- _cell_subsystem.matrix_W_6_3
- _cell_subsystem.matrix_W_6_4
- _cell_subsystem.matrix_W_6_5
- _cell_subsystem.matrix_W_6_6
- _cell_subsystem.matrix_W_6_7
- _cell_subsystem.matrix_W_6_8
- _cell_subsystem.matrix_W_6_9
- _cell_subsystem.matrix_W_7_1
- _cell_subsystem.matrix_W_7_10
- _cell_subsystem.matrix_W_7_11
- _cell_subsystem.matrix_W_7_2
- _cell_subsystem.matrix_W_7_3
- _cell_subsystem.matrix_W_7_4
- _cell_subsystem.matrix_W_7_5
- _cell_subsystem.matrix_W_7_6
- _cell_subsystem.matrix_W_7_7
- _cell_subsystem.matrix_W_7_8
- _cell_subsystem.matrix_W_7_9
- _cell_subsystem.matrix_W_8_1
- _cell_subsystem.matrix_W_8_10
- _cell_subsystem.matrix_W_8_11
- _cell_subsystem.matrix_W_8_2
- _cell_subsystem.matrix_W_8_3
- _cell_subsystem.matrix_W_8_4
- _cell_subsystem.matrix_W_8_5
- _cell_subsystem.matrix_W_8_6
- _cell_subsystem.matrix_W_8_7
- _cell_subsystem.matrix_W_8_8
- _cell_subsystem.matrix_W_8_9
- _cell_subsystem.matrix_W_9_1
- _cell_subsystem.matrix_W_9_10
- _cell_subsystem.matrix_W_9_11
- _cell_subsystem.matrix_W_9_2
- _cell_subsystem.matrix_W_9_3
- _cell_subsystem.matrix_W_9_4
- _cell_subsystem.matrix_W_9_5
- _cell_subsystem.matrix_W_9_6
- _cell_subsystem.matrix_W_9_7
- _cell_subsystem.matrix_W_9_8
- _cell_subsystem.matrix_W_9_9
- CELL_SUBSYSTEMS
- CELL_WAVE_VECTOR
- _cell_wave_vector.seq_id
- _cell_wave_vector.x
- _cell_wave_vector.xyz
- _cell_wave_vector.y
- _cell_wave_vector.z
- CELL_WAVE_VECTORS
- _cell_wave_vectors.meas_details
- _cell_wave_vectors.pressure_max
- _cell_wave_vectors.pressure_min
- _cell_wave_vectors.temp_max
- _cell_wave_vectors.temp_min
- _cell_wave_vectors.variation
- DIFFRN_REFLN
- _diffrn_refln.index_m_1
- _diffrn_refln.index_m_2
- _diffrn_refln.index_m_3
- _diffrn_refln.index_m_4
- _diffrn_refln.index_m_5
- _diffrn_refln.index_m_6
- _diffrn_refln.index_m_7
- _diffrn_refln.index_m_8
- _diffrn_refln.index_m_list
- DIFFRN_REFLNS [defined in ]
- _diffrn_reflns.limit_index_m_1_max
- _diffrn_reflns.limit_index_m_1_min
- _diffrn_reflns.limit_index_m_2_max
- _diffrn_reflns.limit_index_m_2_min
- _diffrn_reflns.limit_index_m_3_max
- _diffrn_reflns.limit_index_m_3_min
- _diffrn_reflns.limit_index_m_4_max
- _diffrn_reflns.limit_index_m_4_min
- _diffrn_reflns.limit_index_m_5_max
- _diffrn_reflns.limit_index_m_5_min
- _diffrn_reflns.limit_index_m_6_max
- _diffrn_reflns.limit_index_m_6_min
- _diffrn_reflns.limit_index_m_7_max
- _diffrn_reflns.limit_index_m_7_min
- _diffrn_reflns.limit_index_m_8_max
- _diffrn_reflns.limit_index_m_8_min
- _diffrn_reflns.limit_index_m_max_list
- _diffrn_reflns.limit_index_m_min_list
- _diffrn_reflns.satellite_order_max
- DIFFRN_STANDARD_REFLN
- _diffrn_standard_refln.index_m_1
- _diffrn_standard_refln.index_m_2
- _diffrn_standard_refln.index_m_3
- _diffrn_standard_refln.index_m_4
- _diffrn_standard_refln.index_m_5
- _diffrn_standard_refln.index_m_6
- _diffrn_standard_refln.index_m_7
- _diffrn_standard_refln.index_m_8
- _diffrn_standard_refln.index_m_list
- EXPTL_CRYSTAL [defined in ]
- EXPTL_CRYSTAL_FACE [defined in ]
- _exptl_crystal_face.index_m_1
- _exptl_crystal_face.index_m_2
- _exptl_crystal_face.index_m_3
- _exptl_crystal_face.index_m_4
- _exptl_crystal_face.index_m_5
- _exptl_crystal_face.index_m_6
- _exptl_crystal_face.index_m_7
- _exptl_crystal_face.index_m_8
- _exptl_crystal_face.index_m_list
- FUNCTION [defined in ]
- GEOM_ANGLE
- _geom_angle.av
- _geom_angle.distances
- _geom_angle.max
- _geom_angle.min
- _geom_angle.site_ssg_symmetry_2
- _geom_angle.site_ssg_symmetry_3
- _geom_angle.value
- _geom_angle.value_su
- _geom_angle.site_ssg_symmetry_1
- GEOM_BOND
- _geom_bond.distance
- _geom_bond.distance_av
- _geom_bond.distance_max
- _geom_bond.distance_min
- _geom_bond.distance_su
- _geom_bond.site_ssg_symmetry_1
- _geom_bond.site_ssg_symmetry_2
- GEOM_CONTACT
- _geom_contact.distance
- _geom_contact.distance_av
- _geom_contact.distance_max
- _geom_contact.distance_min
- _geom_contact.distance_su
- _geom_contact.site_ssg_symmetry_1
- _geom_contact.site_ssg_symmetry_2
- GEOM_TORSION
- _geom_torsion.angle
- _geom_torsion.angle_su
- _geom_torsion.av
- _geom_torsion.max
- _geom_torsion.min
- _geom_torsion.site_ssg_symmetry_1
- _geom_torsion.site_ssg_symmetry_2
- _geom_torsion.site_ssg_symmetry_3
- _geom_torsion.site_ssg_symmetry_4
- REFINE
- _refine.ls_mod_func_description
- _refine.ls_mod_hydrogen_treatment
- _refine.ls_mod_overall_phason_coeff
- _refine.ls_mod_overall_phason_formula
- REFLN
- _refln.index_m_1
- _refln.index_m_2
- _refln.index_m_3
- _refln.index_m_4
- _refln.index_m_5
- _refln.index_m_6
- _refln.index_m_7
- _refln.index_m_8
- _refln.index_m_list
- REFLNS
- _reflns.limit_index_m_1_max
- _reflns.limit_index_m_1_min
- _reflns.limit_index_m_2_max
- _reflns.limit_index_m_2_min
- _reflns.limit_index_m_3_max
- _reflns.limit_index_m_3_min
- _reflns.limit_index_m_4_max
- _reflns.limit_index_m_4_min
- _reflns.limit_index_m_5_max
- _reflns.limit_index_m_5_min
- _reflns.limit_index_m_6_max
- _reflns.limit_index_m_6_min
- _reflns.limit_index_m_7_max
- _reflns.limit_index_m_7_min
- _reflns.limit_index_m_8_max
- _reflns.limit_index_m_8_min
- _reflns.limit_index_m_max_list
- _reflns.limit_index_m_min_list
- SPACE_GROUP [defined in ]
- _space_group.ssg_IT_number
- _space_group.ssg_name
- _space_group.ssg_name_IT
- _space_group.ssg_name_WJJ
- _space_group.ssg_WJJ_code
- SPACE_GROUP_SYMOP