From 2a38a9d6cb0c742789c9b9bf2833c09b7dc8e1b9 Mon Sep 17 00:00:00 2001 From: rowlesmr Date: Sat, 1 Jul 2023 21:37:40 +0800 Subject: [PATCH] Harmonise SU descriptions. --- cif_core.dic | 112 ++++++++++++++++++--------------------------------- 1 file changed, 40 insertions(+), 72 deletions(-) diff --git a/cif_core.dic b/cif_core.dic index 878fbd3..fa00092 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -125,8 +125,7 @@ save_diffrn.ambient_pressure_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the mean hydrostatic pressure - at which intensities were measured. + Standard uncertainty of _diffrn.ambient_pressure. ; _name.category_id diffrn _name.object_id ambient_pressure_su @@ -224,8 +223,7 @@ save_diffrn.ambient_temperature_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the mean temperature - at which intensities were measured. + Standard uncertainty of _diffrn.ambient_temperature. ; _name.category_id diffrn _name.object_id ambient_temperature_su @@ -990,8 +988,7 @@ save_cell.reciprocal_angle_alpha_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the reciprocal of the angle - between _cell.length_b and _cell.length_c. + Standard uncertainty of _cell.reciprocal_angle_alpha. ; _name.category_id cell _name.object_id reciprocal_angle_alpha_su @@ -1047,8 +1044,7 @@ save_cell.reciprocal_angle_beta_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the reciprocal of the angle - between _cell.length_a and _cell.length_c. + Standard uncertainty of _cell.reciprocal_angle_beta. ; _name.category_id cell _name.object_id reciprocal_angle_beta_su @@ -1104,8 +1100,7 @@ save_cell.reciprocal_angle_gamma_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the reciprocal of the angle - between _cell.length_a and _cell.length_b. + Standard uncertainty of _cell.reciprocal_angle_gamma. ; _name.category_id cell _name.object_id reciprocal_angle_gamma_su @@ -1155,7 +1150,7 @@ save_cell.reciprocal_length_a_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the reciprocal of the _cell.length_a. + Standard uncertainty of _cell.reciprocal_length_a. ; _name.category_id cell _name.object_id reciprocal_length_a_su @@ -1205,7 +1200,7 @@ save_cell.reciprocal_length_b_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the reciprocal of the _cell.length_b. + Standard uncertainty of _cell.reciprocal_length_b. ; _name.category_id cell _name.object_id reciprocal_length_b_su @@ -1255,7 +1250,7 @@ save_cell.reciprocal_length_c_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the reciprocal of the _cell.length_c. + Standard uncertainty of _cell.reciprocal_length_c. ; _name.category_id cell _name.object_id reciprocal_length_c_su @@ -1707,7 +1702,7 @@ save_cell.volume_su _definition.update 2014-06-08 _description.text ; - Standard uncertainty of the volume of the crystal unit cell. + Standard uncertainty of _cell.volume. ; _name.category_id cell _name.object_id volume_su @@ -1823,8 +1818,7 @@ save_cell_measurement.pressure_su ; ** DEPRECATED ** - Standard uncertainty of the pressure at which - the unit-cell parameters were measured. + Standard uncertainty of _cell_measurement.pressure. ; _name.category_id cell_measurement _name.object_id pressure_su @@ -1936,8 +1930,7 @@ save_cell_measurement.temperature_su ; ** DEPRECATED ** - Standard uncertainty of the temperature of at which - the unit-cell parameters were measured. + Standard uncertainty of _cell_measurement.temperature. ; _name.category_id cell_measurement _name.object_id temperature_su @@ -3468,8 +3461,7 @@ save_diffrn_radiation_wavelength.value_su _definition.update 2021-08-03 _description.text ; - Standard uncertainty of the wavelength of radiation used in diffraction - measurements. + Standard uncertainty of _diffrn_radiation_wavelength.value. ; _name.category_id diffrn_radiation_wavelength _name.object_id value_su @@ -6304,7 +6296,7 @@ save_refln.f_meas_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the measured structure factor amplitude. + Standard uncertainty of _refln.F_meas. ; _name.category_id refln _name.object_id F_meas_su @@ -6418,7 +6410,7 @@ save_refln.f_squared_meas_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the measured structure factor squared. + Standard uncertainty of _refln.F_squared_meas. ; _name.category_id refln _name.object_id F_squared_meas_su @@ -6697,7 +6689,7 @@ save_refln.intensity_meas_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the measured intensity. + Standard uncertainty of _refln.intensity_meas. ; _name.category_id refln _name.object_id intensity_meas_su @@ -9145,8 +9137,7 @@ save_chemical.temperature_decomposition_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the temperature at which - a crystalline solid decomposes. + Standard uncertainty of _chemical.temperature_decomposition. ; _name.category_id chemical _name.object_id temperature_decomposition_su @@ -9233,8 +9224,7 @@ save_chemical.temperature_sublimation_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the temperature at which - a crystalline solid sublimates. + Standard uncertainty of _chemical.temperature_sublimation. ; _name.category_id chemical _name.object_id temperature_sublimation_su @@ -10251,8 +10241,7 @@ save_exptl_crystal.density_meas_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the crystal density measured - using standard chemical and physical methods. + Standard uncertainty of _exptl_crystal.density_meas. ; _name.category_id exptl_crystal _name.object_id density_meas_su @@ -10345,8 +10334,7 @@ save_exptl_crystal.density_meas_temp_su _definition.update 2012-11-22 _description.text ; - Standard uncertainty of the temperature at - which _exptl_crystal.density_meas was determined. + Standard uncertainty of _exptl_crystal.density_meas_temp. ; _name.category_id exptl_crystal _name.object_id density_meas_temp_su @@ -12683,8 +12671,7 @@ save_geom_angle.value_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the angle defined by - the sites identified by _geom_angle.id. + Standard uncertainty of _geom_angle.value. ; _name.category_id geom_angle _name.object_id value_su @@ -12831,8 +12818,7 @@ save_geom_bond.distance_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the intramolecular bond distance - between the sites identified by _geom_bond.id. + Standard uncertainty of _geom_bond.distance. ; _name.category_id geom_bond _name.object_id distance_su @@ -13121,8 +13107,7 @@ save_geom_contact.distance_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the intermolecular distance between - the atomic sites identified by _geom_contact.id. + Standard uncertainty of _geom_contact.distance. ; _name.category_id geom_contact _name.object_id distance_su @@ -13284,8 +13269,7 @@ save_geom_hbond.angle_dha_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the angle subtended by the sites identified - by _geom_hbond.id. The hydrogen at site H is at the apex of the angle. + Standard uncertainty of _geom_hbond.angle_DHA. ; _name.category_id geom_hbond _name.object_id angle_DHA_su @@ -13396,8 +13380,7 @@ save_geom_hbond.distance_da_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the set of data items which specify - the distance between the three atom sites identified by _geom_hbond.id. + Standard uncertainty of _geom_hbond.distance_DA. ; _name.category_id geom_hbond _name.object_id distance_DA_su @@ -13460,8 +13443,7 @@ save_geom_hbond.distance_dh_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the set of data items which specify - the distance between the three atom sites identified by _geom_hbond.id. + Standard uncertainty of _geom_hbond.distance_DH. ; _name.category_id geom_hbond _name.object_id distance_DH_su @@ -13524,8 +13506,7 @@ save_geom_hbond.distance_ha_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the set of data items which specify - the distance between the three atom sites identified by _geom_hbond.id. + Standard uncertainty of _geom_hbond.distance_HA. ; _name.category_id geom_hbond _name.object_id distance_HA_su @@ -13748,7 +13729,7 @@ save_geom_torsion.angle_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the torsion angle. + Standard uncertainty of _geom_torsion.angle. ; _name.category_id geom_torsion _name.object_id angle_su @@ -20621,9 +20602,7 @@ save_atom_site.b_equiv_geom_mean_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the equivalent isotropic atomic displacement - parameter, B(equiv), in angstroms squared, calculated as the geometric - mean of the anisotropic atomic displacement parameters. + Standard uncertainty of _atom_site.B_equiv_geom_mean. ; _name.category_id atom_site _name.object_id B_equiv_geom_mean_su @@ -20681,10 +20660,7 @@ save_atom_site.b_iso_or_equiv_su _definition.update 2023-01-16 _description.text ; - Standard uncertainty of the isotropic atomic displacement parameter, - or equivalent isotropic atomic displacement parameter, B(equiv), - in angstroms squared, calculated from anisotropic atomic displacement - parameters. + Standard uncertainty of _atom_site.B_iso_or_equiv. ; _name.category_id atom_site _name.object_id B_iso_or_equiv_su @@ -21304,8 +21280,7 @@ save_atom_site.occupancy_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the fraction of the atom type - present at this site. + Standard uncertainty of _atom_site.occupancy. ; _name.category_id atom_site _name.object_id occupancy_su @@ -21703,7 +21678,7 @@ save_atom_site.u_equiv_geom_mean_su _definition.update 2012-11-20 _description.text ; - Standard uncertainty values (esds) of the U(equiv). + Standard uncertainty of _atom_site.U_equiv_geom_mean. ; _name.category_id atom_site _name.object_id U_equiv_geom_mean_su @@ -21756,7 +21731,7 @@ save_atom_site.u_iso_or_equiv_su _definition.update 2012-11-20 _description.text ; - Standard uncertainty values (esds) of the U(iso) or U(equiv). + Standard uncertainty of _atom_site.U_iso_or_equiv. ; _name.category_id atom_site _name.object_id U_iso_or_equiv_su @@ -25225,8 +25200,7 @@ save_refine_diff.density_max_su _definition.update 2023-01-12 _description.text ; - Standard uncertainty of the maximum density value - in a difference Fourier map. + Standard uncertainty of _refine_diff.density_max. ; _name.category_id refine_diff _name.object_id density_max_su @@ -25292,8 +25266,7 @@ save_refine_diff.density_min_su _definition.update 2023-01-12 _description.text ; - Standard uncertainty of the minimum density value - in a difference Fourier map. + Standard uncertainty of _refine_diff.density_min. ; _name.category_id refine_diff _name.object_id density_min_su @@ -25364,8 +25337,7 @@ save_refine_diff.density_rms_su _definition.update 2023-01-12 _description.text ; - Standard uncertainty of the root mean square density value - in a difference Fourier map. + Standard uncertainty of _refine_diff.density_RMS. ; _name.category_id refine_diff _name.object_id density_RMS_su @@ -25470,8 +25442,7 @@ save_refine_ls.abs_structure_flack_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the measure of absolute structure - as defined by Flack (1983). + Standard uncertainty of _refine_ls.abs_structure_Flack. ; _name.category_id refine_ls _name.object_id abs_structure_Flack_su @@ -25526,8 +25497,7 @@ save_refine_ls.abs_structure_rogers_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the measure of absolute structure - as defined by Rogers (1981). + Standard uncertainty of _refine_ls.abs_structure_Rogers. ; _name.category_id refine_ls _name.object_id abs_structure_Rogers_su @@ -25643,7 +25613,7 @@ save_refine_ls.extinction_coef_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the extinction coefficient. + Standard uncertainty of _refine_ls.extinction_coef. ; _name.category_id refine_ls _name.object_id extinction_coef_su @@ -25891,8 +25861,7 @@ save_refine_ls.goodness_of_fit_all_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the least-squares goodness-of-fit - parameter S for all reflections after the final cycle of refinement. + Standard uncertainty of _refine_ls.goodness_of_fit_all. ; _name.category_id refine_ls _name.object_id goodness_of_fit_all_su @@ -25964,8 +25933,7 @@ save_refine_ls.goodness_of_fit_gt_su _definition.update 2021-03-03 _description.text ; - Standard uncertainty of the least-squares goodness-of-fit - parameter S for gt reflections after the final cycle of refinement. + Standard uncertainty of _refine_ls.goodness_of_fit_gt. ; _name.category_id refine_ls _name.object_id goodness_of_fit_gt_su