From 6efb7e125b6404d8375063b73b2552e19ff4010d Mon Sep 17 00:00:00 2001 From: Brian McMahon Date: Fri, 28 Nov 2025 11:49:24 +0000 Subject: [PATCH] Cosmetic: removed extra blank line at start of definitions. --- cif_rstr.dic | 103 --------------------------------------------------- 1 file changed, 103 deletions(-) diff --git a/cif_rstr.dic b/cif_rstr.dic index 4cc3f12..7f47615 100644 --- a/cif_rstr.dic +++ b/cif_rstr.dic @@ -8,7 +8,6 @@ # This dictionary contains the names and definitions for reporting # # restraints and constraints in the Core CIF dictionary. # # # -# # ############################################################################## data_CIF_RSTR @@ -86,7 +85,6 @@ save_CIF_RSTR_HEAD _definition.update 2025-11-24 _description.text ; - The CIF_RSTR_HEAD category is the top-level category for all categories in the CIF_RSTR dictionary. Definitions in this dictionary are used to restrain and constrain crystallographic parameters. @@ -109,7 +107,6 @@ save_RESTR _definition.update 2014-06-29 _description.text ; - This category is for describing restraints that cannot be described elsewhere. ; @@ -125,7 +122,6 @@ save_restr.special_details _definition.update 2014-06-29 _description.text ; - Text describing any restraint or constraint that cannot be described using any of the the other restraint items. See also _atom_site_restraints. @@ -147,7 +143,6 @@ save_RESTR_ANGLE _definition.update 2014-06-29 _description.text ; - Items in this category define angles that were restrained in the final refinement. Atom 2 is at the apex of the angle. ; @@ -204,7 +199,6 @@ save_restr_angle.details _definition.update 2014-06-29 _description.text ; - A free-text description of the restraint. ; _name.category_id restr_angle @@ -223,7 +217,6 @@ save_restr_angle.diff _definition.update 2014-06-29 _description.text ; - The difference between the target and the refined angle. ; _name.category_id restr_angle @@ -280,7 +273,6 @@ save_restr_angle.target _definition.update 2014-06-29 _description.text ; - The expectation angle defined by the three atoms. This is the target angle for the restrained refinement. ; @@ -302,7 +294,6 @@ save_restr_angle.target_weight_param _definition.update 2014-06-29 _description.text ; - Weighting parameter = sqrt(1/weight). It is the expectation value of the difference between the refined value and the target. @@ -330,7 +321,6 @@ save_RESTR_DISTANCE _definition.update 2014-06-29 _description.text ; - This category describes restraints applied to distances during the final refinement. ; @@ -374,7 +364,6 @@ save_restr_distance.details _definition.update 2014-06-29 _description.text ; - A free-text description of the restraint. ; _name.category_id restr_distance @@ -393,7 +382,6 @@ save_restr_distance.diff _definition.update 2014-06-29 _description.text ; - The difference between the target and the refined distance. ; _name.category_id restr_distance @@ -437,7 +425,6 @@ save_restr_distance.target _definition.update 2014-06-29 _description.text ; - The expectation distance between the two atoms. This is the target distance for the restrained refinement. ; @@ -458,7 +445,6 @@ save_restr_distance.target_weight_param _definition.update 2014-06-29 _description.text ; - Weighting parameter = sqrt(1/weight). It is the expectation value of the difference between the refined value and the target. @@ -486,7 +472,6 @@ save_RESTR_DISTANCE_MIN _definition.update 2014-06-29 _description.text ; - Items in this category offer power-law and exponential expressions for a function designed to prevent two atoms occupying the same location. @@ -509,7 +494,6 @@ save_restr_distance_min.a _definition.update 2014-06-29 _description.text ; - The weight associated with the difference between the refined distance D and the prescribed minimum distance (B or F) is given by the expression @@ -568,7 +552,6 @@ save_restr_distance_min.b _definition.update 2014-06-29 _description.text ; - See _restr_distance_min.A for description. ; _name.category_id restr_distance_min @@ -590,7 +573,6 @@ save_restr_distance_min.c _definition.update 2014-06-29 _description.text ; - See _restr_distance_min.A for description. ; _name.category_id restr_distance_min @@ -609,7 +591,6 @@ save_restr_distance_min.details _definition.update 2014-06-29 _description.text ; - A text description of the restraint giving details not given elsewhere. ; @@ -629,7 +610,6 @@ save_restr_distance_min.difference _definition.update 2014-06-29 _description.text ; - The difference in angstroms between the refined distance of approach of the two atoms and the target distance B or F: @@ -652,7 +632,6 @@ save_restr_distance_min.distance _definition.update 2014-06-29 _description.text ; - The refined distance, D, between the two atoms. ; _name.category_id restr_distance_min @@ -673,7 +652,6 @@ save_restr_distance_min.e _definition.update 2014-06-29 _description.text ; - See _restr_distance_min.A for description. ; _name.category_id restr_distance_min @@ -692,7 +670,6 @@ save_restr_distance_min.f _definition.update 2014-06-29 _description.text ; - See _restr_distance_min.A for description. ; _name.category_id restr_distance_min @@ -712,7 +689,6 @@ save_restr_distance_min.g _definition.update 2014-06-29 _description.text ; - See _restr_distance_min.A for description. ; _name.category_id restr_distance_min @@ -757,7 +733,6 @@ save_RESTR_EQUAL_ANGLE _definition.update 2016-11-15 _description.text ; - Items in this category list the atoms defining the angles that are restrained to be equal in the final refinement. _atom_site_label_2 is at the apex of the angle. @@ -815,7 +790,6 @@ save_restr_equal_angle.class_id _definition.update 2014-06-29 _description.text ; - A character string identifying the class of equal angles to which this angle belongs. ; @@ -835,7 +809,6 @@ save_restr_equal_angle.details _definition.update 2014-06-29 _description.text ; - A text description giving details of an angle in a class of angles that are restrained to be equal. ; @@ -892,7 +865,6 @@ save_RESTR_EQUAL_ANGLE_CLASS _definition.update 2014-06-29 _description.text ; - Items in this category give details of the target angles for each class of angles that are restrained to be equal in the final refinement. @@ -910,7 +882,6 @@ save_restr_equal_angle_class.average _definition.update 2014-06-29 _description.text ; - The average angle in the class of angles restrained to be the same after refinement. ; @@ -932,7 +903,6 @@ save_restr_equal_angle_class.average_su _definition.update 2014-07-30 _description.text ; - The actual estimated standard deviation of the angles in the class from their average after refinement. This number is expected to be similar to the value set for @@ -957,7 +927,6 @@ save_restr_equal_angle_class.class_id _definition.update 2014-06-29 _description.text ; - A character string that identifies the class of angles whose properties are described. ; @@ -999,7 +968,6 @@ save_restr_equal_angle_class.diff_max _definition.update 2014-06-29 _description.text ; - The maximum deviation of an angle in the class from the class average after refinement. ; @@ -1021,7 +989,6 @@ save_restr_equal_angle_class.target_weight_param _definition.update 2014-06-29 _description.text ; - The weighting parameter = sqrt(1/weight). The expectation value of the estimated standard deviation of the angles in the class from their average after refinement. @@ -1048,7 +1015,6 @@ save_RESTR_EQUAL_DISTANCE _definition.update 2014-06-29 _description.text ; - Items in this category list the atoms defining the distances that are restrained to be equal in the final refinement. ; @@ -1092,7 +1058,6 @@ save_restr_equal_distance.class_id _definition.update 2014-06-29 _description.text ; - A character string identifying the class of equal distances to which this distance belongs. ; @@ -1112,7 +1077,6 @@ save_restr_equal_distance.details _definition.update 2014-06-29 _description.text ; - A text description giving details of a distance in a class of distances that are restrained to be equal. ; @@ -1157,7 +1121,6 @@ save_RESTR_EQUAL_DISTANCE_CLASS _definition.update 2014-06-29 _description.text ; - Items in this category give details of the target distances for each class of distances that are restrained to be equal in the final refinement. @@ -1175,7 +1138,6 @@ save_restr_equal_distance_class.average _definition.update 2014-06-29 _description.text ; - The average distance in the class of distances restrained to be the same after refinement. ; @@ -1197,7 +1159,6 @@ save_restr_equal_distance_class.average_su _definition.update 2014-07-30 _description.text ; - The actual estimated standard deviation of the distances in the class from their average after refinement. This number is expected to be similar to the value set for @@ -1222,7 +1183,6 @@ save_restr_equal_distance_class.class_id _definition.update 2014-06-29 _description.text ; - A character string that identifies the class of distances whose properties are described. ; @@ -1242,7 +1202,6 @@ save_restr_equal_distance_class.details _definition.update 2014-06-29 _description.text ; - A text description giving details of the class of distances that are restrained to be equal. ; @@ -1262,7 +1221,6 @@ save_restr_equal_distance_class.diff_max _definition.update 2014-06-29 _description.text ; - The maximum deviation of a distance in the class from the class average after refinement. ; @@ -1286,7 +1244,6 @@ save_restr_equal_distance_class.target_weight_param _definition.update 2014-06-29 _description.text ; - The weighting parameter = sqrt(1/weight). The expectation value of the estimated standard deviation of the distances in the class from their average after refinement. @@ -1314,7 +1271,6 @@ save_RESTR_EQUAL_TORSION _definition.update 2014-06-29 _description.text ; - Items in this category list the atoms defining the torsion angles that are restrained to be equal in the final refinement. The torsion angle is the dihedral @@ -1388,7 +1344,6 @@ save_restr_equal_torsion.class_id _definition.update 2014-06-29 _description.text ; - A character string identifying the class of equal torsion angles to which this torsion angle belongs. ; @@ -1408,7 +1363,6 @@ save_restr_equal_torsion.details _definition.update 2014-06-29 _description.text ; - A text description giving details of a torsion angle in a class of torsion angles that are restrained to be equal. ; @@ -1477,7 +1431,6 @@ save_RESTR_EQUAL_TORSION_CLASS _definition.update 2014-06-29 _description.text ; - Items in this category give details of the target torsion angles for each class of torsion angles that are restrained to be equal in the final refinement. @@ -1495,7 +1448,6 @@ save_restr_equal_torsion_class.average _definition.update 2014-06-29 _description.text ; - The average torsion angle in the class of torsion angles restrained to be the same after refinement. ; @@ -1517,7 +1469,6 @@ save_restr_equal_torsion_class.average_su _definition.update 2014-07-30 _description.text ; - The actual estimated standard deviation of the distances in the class from their average after refinement. This number is expected to be similar to the value set for @@ -1542,7 +1493,6 @@ save_restr_equal_torsion_class.class_id _definition.update 2014-06-29 _description.text ; - A character string that identifies the class of torsion angles whose properties are described. ; @@ -1562,7 +1512,6 @@ save_restr_equal_torsion_class.details _definition.update 2014-06-29 _description.text ; - A text description giving details of the class of torsion angles that are restrained to be equal. ; @@ -1582,7 +1531,6 @@ save_restr_equal_torsion_class.diff_max _definition.update 2014-06-29 _description.text ; - The maximum deviation of a torsion angle in the class from the class average after refinement. ; @@ -1606,7 +1554,6 @@ save_restr_equal_torsion_class.target_weight_param _definition.update 2014-06-29 _description.text ; - The weighting parameter = sqrt(1/weight). This is the expectation value of the estimated standard deviation (given in _restr_equal_torsion_class.average_su) @@ -1636,7 +1583,6 @@ save_RESTR_PARAMETER _definition.update 2014-06-29 _description.text ; - This restraint, which will normally be used to restrain the total occupancy of an atom site, can be used to restrain the value of @@ -1662,7 +1608,6 @@ save_restr_parameter.atom_coefficient _definition.update 2014-06-29 _description.text ; - A parameter that scales the quantity being restrained. It can be used to convert a constraint on occupancy to a constraint on ionic charge. @@ -1684,7 +1629,6 @@ save_restr_parameter.atom_site_label _definition.update 2014-06-29 _description.text ; - The atom-site label for an atom in this class. ; _name.category_id restr_parameter @@ -1703,7 +1647,6 @@ save_restr_parameter.class_id _definition.update 2014-06-29 _description.text ; - The identifier of the class of restraint applied to the atoms. ; _name.category_id restr_parameter @@ -1722,7 +1665,6 @@ save_restr_parameter.id _definition.update 2014-06-29 _description.text ; - A unique identifier for each parameter. ; _name.category_id restr_parameter @@ -1742,7 +1684,6 @@ save_RESTR_PARAMETER_CLASS _definition.update 2014-06-29 _description.text ; - This restraint, which will normally be used to restrain the total occupancy of an atom site, can be used to restrain the value of @@ -1768,7 +1709,6 @@ save_restr_parameter_class.class_id _definition.update 2014-06-29 _description.text ; - The class ID of the restraint described in this category. ; _name.category_id restr_parameter_class @@ -1787,7 +1727,6 @@ save_restr_parameter_class.details _definition.update 2014-06-29 _description.text ; - A text description of the restraint. ; _name.category_id restr_parameter_class @@ -1806,7 +1745,6 @@ save_restr_parameter_class.parameter_type _definition.update 2014-06-29 _description.text ; - A flag that indicates the nature of the restrained value. ; _name.category_id restr_parameter_class @@ -1832,7 +1770,6 @@ save_restr_parameter_class.target _definition.update 2014-06-29 _description.text ; - The target value for the sum of values of the appropriate parameter type multiplied by the _*.target_weight_param. ; @@ -1852,7 +1789,6 @@ save_restr_parameter_class.target_weight_param _definition.update 2014-06-29 _description.text ; - Weighting parameter = sqrt(1/weight). It is the expectation value of the difference between the refined value of the sum(parameter*coefficient) @@ -1880,7 +1816,6 @@ save_RESTR_PLANE _definition.update 2014-06-29 _description.text ; - Items in this category define the atoms that make up each class of plane. ; @@ -1897,7 +1832,6 @@ save_restr_plane.atom_site_label _definition.update 2014-06-29 _description.text ; - An atom-site label of one of the atoms that form the plane. ; _name.category_id restr_plane @@ -1916,7 +1850,6 @@ save_restr_plane.class_id _definition.update 2014-06-29 _description.text ; - A character string that identifies the plane to which this atom is constrained. ; @@ -1936,7 +1869,6 @@ save_restr_plane.details _definition.update 2014-06-29 _description.text ; - A text string giving details not described elsewhere. ; _name.category_id restr_plane @@ -1955,7 +1887,6 @@ save_restr_plane.displacement _definition.update 2014-06-29 _description.text ; - The distance between this atom and the best plane through all the atoms. ; @@ -1977,7 +1908,6 @@ save_restr_plane.id _definition.update 2014-06-29 _description.text ; - A unique identifier for each line in the list. ; _name.category_id restr_plane @@ -1996,7 +1926,6 @@ save_restr_plane.site_symmetry _definition.update 2014-06-29 _description.text ; - The site symmetry of the atom that helps to define the plane to which it is restrained. ; @@ -2016,7 +1945,6 @@ save_restr_plane.target_weight_param _definition.update 2014-06-29 _description.text ; - The weighting parameter = sqrt(1/weight). The expectation value of the distance in angstroms between this atom and the best plane through all @@ -2042,7 +1970,6 @@ save_RESTR_PLANE_CLASS _definition.update 2014-06-29 _description.text ; - Items in this category describe the properties of the different groups of atoms that are restrained to form a plane. @@ -2060,7 +1987,6 @@ save_restr_plane_class.class_id _definition.update 2014-06-29 _description.text ; - Class identifier for the plane whose properties are described. ; _name.category_id restr_plane_class @@ -2079,7 +2005,6 @@ save_restr_plane_class.details _definition.update 2014-06-29 _description.text ; - Text describing any special features of the restraint. ; _name.category_id restr_plane_class @@ -2098,7 +2023,6 @@ save_restr_plane_class.displacement_avsu _definition.update 2014-07-30 _description.text ; - The average standard uncertainty of atoms in this plane. ; _name.category_id restr_plane_class @@ -2119,7 +2043,6 @@ save_restr_plane_class.displacement_max _definition.update 2014-06-29 _description.text ; - The distance in angstroms from the plane to the atom furthest removed from the plane. ; @@ -2143,7 +2066,6 @@ save_restr_plane_class.displacement_max_atom_site_label _definition.update 2014-06-29 _description.text ; - The atom-site label of the atom that lies furthest from the plane defined by this class. ; @@ -2165,7 +2087,6 @@ save_restr_plane_class.displacement_max_site_symmetry _definition.update 2014-06-29 _description.text ; - The site symmetry of the atom lying furthest from the plane to which it is restrained. ; @@ -2186,7 +2107,6 @@ save_RESTR_RIGID_BODY _definition.update 2014-06-29 _description.text ; - Items in this category list the atoms defining one or more bodies that are constrained to be rigid in the final refinement. This is done by listing the atom-site label @@ -2211,7 +2131,6 @@ save_restr_rigid_body.atom_site_label _definition.update 2014-06-29 _description.text ; - The atom-site labels of an atom in a rigid body. ; _name.category_id restr_rigid_body @@ -2230,7 +2149,6 @@ save_restr_rigid_body.class_id _definition.update 2014-06-29 _description.text ; - A character string identifying a rigid body. ; _name.category_id restr_rigid_body @@ -2249,7 +2167,6 @@ save_restr_rigid_body.details _definition.update 2014-06-29 _description.text ; - A text description giving details of a rigid body in a class of rigid bodies that are constrained to be equal. ; @@ -2269,7 +2186,6 @@ save_restr_rigid_body.id _definition.update 2014-06-29 _description.text ; - A unique identifier for each atom in the list of atoms in the RESTR_RIGID_BODY category. ; @@ -2289,7 +2205,6 @@ save_restr_rigid_body.site_symmetry _definition.update 2014-06-29 _description.text ; - The site symmetry of an atom in a rigid body. ; _name.category_id restr_rigid_body @@ -2309,7 +2224,6 @@ save_RESTR_RIGID_BODY_CLASS _definition.update 2014-06-29 _description.text ; - Items in this category give details of the different rigid bodies as defined by _restr_rigid_body.class_id ; @@ -2326,7 +2240,6 @@ save_restr_rigid_body_class.class_id _definition.update 2014-06-29 _description.text ; - A character string that identifies the rigid body. It must match one of the values of _restr_rigid_body.class_id. ; @@ -2347,7 +2260,6 @@ save_restr_rigid_body_class.details _definition.update 2014-06-29 _description.text ; - A text description giving details of a rigid body. ; _name.category_id restr_rigid_body_class @@ -2367,7 +2279,6 @@ save_RESTR_TORSION _definition.update 2014-06-29 _description.text ; - Items in this category define torsion angles that were restrained in the final refinement. The torsion angle is the dihedral angle between the plane defined by atoms 1, 2 and 3, and @@ -2395,7 +2306,6 @@ save_restr_torsion.angle_target _definition.update 2014-06-29 _description.text ; - The angle in degrees to which the torsion angle is restrained. The torsion angle is the dihedral angle between the plane defined by atoms 1, 2 and 3, and the plane defined by atoms 2, 3 and 4. @@ -2462,7 +2372,6 @@ save_restr_torsion.details _definition.update 2014-06-29 _description.text ; - A free-text description of the restraint. ; _name.category_id restr_torsion @@ -2481,7 +2390,6 @@ save_restr_torsion.diff _definition.update 2014-06-29 _description.text ; - The difference between the target and the refined torsion angle. ; _name.category_id restr_torsion @@ -2549,7 +2457,6 @@ save_restr_torsion.weight_param _definition.update 2014-06-29 _description.text ; - Weighting parameter = sqrt(1/weight). It is the expectation value of the difference between the refined value and the target. @@ -2577,7 +2484,6 @@ save_RESTR_U_ISO _definition.update 2014-06-29 _description.text ; - This restraint attempts to make an anisotropic atomic displacement isotropic within the range of the weighting parameter. It corresponds to SHELX ISO. @@ -2595,7 +2501,6 @@ save_restr_u_iso.atom_site_label _definition.update 2014-06-29 _description.text ; - Label of the atom whose atomic displacement parameters are restrained. ; @@ -2615,7 +2520,6 @@ save_restr_u_iso.weight_param _definition.update 2014-06-29 _description.text ; - The expectation value of the difference between the refined and the isotropic equivalent of the anisotropic atomic displacement parameters. @@ -2641,7 +2545,6 @@ save_RESTR_U_RIGID _definition.update 2014-06-29 _description.text ; - The items in this category restrains the anisotropic displacement parameters of two atoms to be equal within a certain *_target_weight_param along the @@ -2687,7 +2590,6 @@ save_restr_u_rigid.details _definition.update 2014-06-29 _description.text ; - Free-text information about the rigid-bond restraint. ; _name.category_id restr_u_rigid @@ -2706,7 +2608,6 @@ save_restr_u_rigid.diff _definition.update 2014-06-29 _description.text ; - The difference between the components along the bond direction of the atomic displacement parameters, U, of the two atoms. ; @@ -2751,7 +2652,6 @@ save_restr_u_rigid.target_weight_param _definition.update 2014-06-29 _description.text ; - The weighting parameter = sqrt(1/weight). The expectation value of the difference between the components of the atomic displacement parameter, U, @@ -2778,7 +2678,6 @@ save_restr_u_rigid.u_parallel _definition.update 2014-06-29 _description.text ; - The average value of the components parallel to the bond of the atomic displacement parameters of the two atoms that define the bond. @@ -2802,7 +2701,6 @@ save_RESTR_U_SIMILAR _definition.update 2014-06-29 _description.text ; - This category forces the atomic displacement ellipsoids of atom 2 to be equal to that of atom 1 within the range of the weighting parameter. @@ -2872,7 +2770,6 @@ save_restr_u_similar.weight_param _definition.update 2014-06-29 _description.text ; - The expectation value of the difference between the anisotropic atomic displacement parameters of the two atoms.