diff --git a/cif_pow.dic b/cif_pow.dic index 9d2d6b7..28dfd33 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -1953,9 +1953,12 @@ save_PD_CALIB _definition.id PD_CALIB _definition.scope Category _definition.class Loop - _definition.update 2016-10-17 + _definition.update 2023-06-05 _description.text ; + This category is deprecated. Please see PD_CALIB_DETECTED_INTENSITY and + PD_QPA_INTERNAL_STD. + This section defines the parameters used for the calibration of the instrument that are used directly or indirectly in the interpretation of this data set. The information in this @@ -1995,10 +1998,16 @@ save_ save_pd_calib.detector_response _definition.id '_pd_calib.detector_response' + _definition_replaced.id 1 + _definition_replaced.by + '_pd_calib_detected_intensity.detector_response' _alias.definition_id '_pd_calib_detector_response' - _definition.update 2022-10-11 + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see + _pd_calib_detected_intensity.detector_response. + A value that indicates the relative sensitivity of each detector. This can compensate for differences in electronics, size and collimation. Usually, one detector or the mean for @@ -2018,9 +2027,15 @@ save_ save_pd_calib.detector_response_su _definition.id '_pd_calib.detector_response_su' - _definition.update 2022-10-27 + _definition_replaced.id 1 + _definition_replaced.by + '_pd_calib_detected_intensity.detector_response_su' + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see + _pd_calib_detected_intensity.detector_response_su. + Standard uncertainty of _pd_calib.detector_response. ; _name.category_id pd_calib @@ -2082,10 +2097,15 @@ save_ save_pd_calib.std_internal_name _definition.id '_pd_calib.std_internal_name' + _definition_replaced.id 1 + _definition_replaced.by . _alias.definition_id '_pd_calib_std_internal_name' - _definition.update 2022-12-01 + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see PD_QPA_INTERNAL_STD for alternate + methods of identifying an internal standard. + Identity of material(s) used as an internal intensity standard. ; _name.category_id pd_calib @@ -2686,9 +2706,12 @@ save_PD_CALIB_OFFSET _definition.id PD_CALIB_OFFSET _definition.scope Category _definition.class Loop - _definition.update 2016-11-12 + _definition.update 2023-06-05 _description.text ; + This category is deprecated. Please see PD_CALIB_XCOORD and + PD_CALIB_XCOORD_OVERALL. + Data items in this category define an offset angle (in degrees) used to calibrate 2\q (as defined in _pd_meas.2theta_*). Calibration is done by adding the offset: @@ -2716,10 +2739,18 @@ save_ save_pd_calib.2theta_off_max _definition.id '_pd_calib.2theta_off_max' + + _definition_replaced.id 1 + _definition_replaced.by . + _alias.definition_id '_pd_calib_2theta_off_max' - _definition.update 2014-06-20 + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see PD_CALIB_XCOORD. In general, + calibrations are now carried out over the given range, removing the need + to explicitly provide minima and maxima. + The maximum nominal 2\q value to which the offset given by _pd_calib.2theta_offset applies. ; @@ -2737,10 +2768,18 @@ save_ save_pd_calib.2theta_off_min _definition.id '_pd_calib.2theta_off_min' + + _definition_replaced.id 1 + _definition_replaced.by . + _alias.definition_id '_pd_calib_2theta_off_min' - _definition.update 2014-06-20 + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see PD_CALIB_XCOORD. In general, + calibrations are now carried out over the given range, removing the need + to explicitly provide minima and maxima. + The minimum nominal 2\q value to which the offset given by _pd_calib.2theta_offset applies. ; @@ -2758,10 +2797,16 @@ save_ save_pd_calib.2theta_off_point _definition.id '_pd_calib.2theta_off_point' + + _definition_replaced.id 1 + _definition_replaced.by '_pd_calib_xcoord.2theta_nominal' + _alias.definition_id '_pd_calib_2theta_off_point' - _definition.update 2014-06-20 + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see _pd_calib_xcoord.2theta_nominal. + The nominal 2\q value to which the offset given in _pd_calib.2theta_offset applies. ; @@ -2779,10 +2824,16 @@ save_ save_pd_calib.2theta_offset _definition.id '_pd_calib.2theta_offset' + + _definition_replaced.id 1 + _definition_replaced.by '_pd_calib_xcoord.2theta_offset' + _alias.definition_id '_pd_calib_2theta_offset' - _definition.update 2022-10-11 + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see _pd_calib_xcoord.2theta_offset. + _pd_calib.2theta_offset defines an offset angle (in degrees) used to calibrate 2\q (as defined in _pd_meas.2theta_*). Calibration is done by adding the offset: @@ -2803,9 +2854,15 @@ save_ save_pd_calib.2theta_offset_su _definition.id '_pd_calib.2theta_offset_su' - _definition.update 2022-10-27 + + _definition_replaced.id 1 + _definition_replaced.by '_pd_calib_xcoord.2theta_offset_su' + + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see _pd_calib_xcoord.2theta_offset_su. + Standard uncertainty of _pd_calib.2theta_offset. ; _name.category_id pd_calib_offset @@ -2820,9 +2877,15 @@ save_ save_pd_calib_offset.detector_id _definition.id '_pd_calib_offset.detector_id' - _definition.update 2016-11-12 + + _definition_replaced.id 1 + _definition_replaced.by '_pd_calib_xcoord_overall.detector_id' + + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see _pd_calib_xcoord_overall.detector_id. + The detector to which the offset values relate. As a default value is defined, the detector id may be omitted if only a single detector is present. @@ -2841,9 +2904,15 @@ save_ save_pd_calib_offset.id _definition.id '_pd_calib_offset.id' - _definition.update 2023-01-06 + + _definition_replaced.id 1 + _definition_replaced.by '_pd_calib_xcoord.id' + + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see _pd_calib_xcoord.id. + An arbitrary code which identifies a particular 2\q offset description. As a default value is defined, this may be omitted if only a single offset is provided. @@ -2863,9 +2932,13 @@ save_PD_CALIB_STD _definition.id PD_CALIB_STD _definition.scope Category _definition.class Loop - _definition.update 2016-10-18 + _definition.update 2023-06-05 _description.text ; + This category is deprecated. Please see PD_CALIB_DETECTED_INTENSITY, + PD_CALIB_INCIDENT_INTENSITY, PD_CALIB_WAVELENGTH, and + PD_CALIB_XCOORD_OVERALL. + This category identifies the external standards used for the calibration of the instrument that are used directly or indirectly in the interpretation of this data set. The information in this @@ -2876,7 +2949,7 @@ save_PD_CALIB_STD used (for example, separately for angular and gain calibration). For quantitative phase analysis by the external standard approach, - please see PD_QPA_EXT_STD. + please see PD_QPA_EXTERNAL_STD. ; _name.category_id PD_GROUP _name.object_id PD_CALIB_STD @@ -2891,9 +2964,19 @@ save_ save_pd_calib_std.detector_id _definition.id '_pd_calib_std.detector_id' - _definition.update 2016-10-18 + + loop_ + _definition_replaced.id + _definition_replaced.by + 1 '_pd_calib_detected_intensity.detector_id' + 2 '_pd_calib_xcoord_overall.detector_id' + + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see _pd_calib_detected_intensity.detector_id + or _pd_calib_xcoord_overall.detector_id, as necessary. + A code which identifies the detector or channel number that the calibration data applies to. Note that this code should match a detector from _pd_meas.detector_id and may be omitted if only @@ -2913,10 +2996,34 @@ save_ save_pd_calib_std.external_block_id _definition.id '_pd_calib_std.external_block_id' + + loop_ + _definition_replaced.id + _definition_replaced.by + 1 '_pd_calib_detected_intensity.block_id' + 2 '_pd_calib_detected_intensity.diffractogram_id' + 3 '_pd_calib_incident_intensity.block_id' + 4 '_pd_calib_incident_intensity.diffractogram_id' + 5 '_pd_calib_wavelength.block_id' + 6 '_pd_calib_wavelength.diffractogram_id' + 7 '_pd_calib_xcoord_overall.block_id' + 8 '_pd_calib_xcoord_overall.diffractogram_id' + _alias.definition_id '_pd_calib_std_external_block_id' - _definition.update 2023-01-09 + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see: + - _pd_calib_detected_intensity.block_id + - _pd_calib_detected_intensity.diffractogram_id + - _pd_calib_incident_intensity.block_id + - _pd_calib_incident_intensity.diffractogram_id + - _pd_calib_wavelength.block_id + - _pd_calib_wavelength.diffractogram_id + - _pd_calib_xcoord_overall.block_id + - _pd_calib_xcoord_overall.diffractogram_id + as necessary. + Identifies the _pd_block.id used as an external standard for the diffraction angle or the intensity calibrations. @@ -2936,10 +3043,20 @@ save_ save_pd_calib_std.external_name _definition.id '_pd_calib_std.external_name' + _definition_replaced.id 1 + _definition_replaced.by . _alias.definition_id '_pd_calib_std_external_name' - _definition.update 2023-01-07 + _definition.update 2023-06-05 _description.text ; + This item is deprecated. Please see: + - PD_CALIB_DETECTED_INTENSITY + - PD_CALIB_INCIDENT_INTENSITY + - PD_CALIB_WAVELENGTH + - PD_CALIB_XCOORD + - PD_CALIB_XCOORD_OVERALL + as necessary, for information on how to identify the external standard used. + Identifies the name of the material used as an external standard for the diffraction angle or the intensity calibrations. ; @@ -12396,7 +12513,9 @@ save_ Added _pd_peak_overall.id. Added child data names of _pd_peak_overall.id to PD_AMORPHOUS, - PD_BACKGROUND, and REFLN. + PD_BACKGROUND, and REFLN + + Deprecated PD_CALIB, PD_CALIB_OFFSET, and PD_CALIB_STD. Deprecated PD_MEAS_INFO_AUTHOR and PD_PROC_INFO_AUTHOR in favour of AUDIT_AUTHOR and AUDIT_AUTHOR_ROLE.