From 48a48d330cf66b96946b6cc2d223b6088e188338 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Fri, 27 Jun 2025 18:30:37 +0800 Subject: [PATCH 1/7] removed _pd_calib_detected_intensity.id This is a category for the overall intensity calibration of a detector. 1 value per detector, so makes no sense to be also keyed on an opaque ID. --- cif_pow.dic | 29 +++++------------------------ 1 file changed, 5 insertions(+), 24 deletions(-) diff --git a/cif_pow.dic b/cif_pow.dic index 6664bcb..0b454cb 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -2621,7 +2621,7 @@ save_PD_CALIB_DETECTED_INTENSITY _definition.id PD_CALIB_DETECTED_INTENSITY _definition.scope Category _definition.class Loop - _definition.update 2023-01-21 + _definition.update 2025-06-27 _description.text ; This section defines the parameters used for the intensity calibration of @@ -2646,11 +2646,7 @@ save_PD_CALIB_DETECTED_INTENSITY ; _name.category_id PD_GROUP _name.object_id PD_CALIB_DETECTED_INTENSITY - - loop_ - _category_key.name - '_pd_calib_detected_intensity.detector_id' - '_pd_calib_detected_intensity.id' + _category_key.name '_pd_calib_detected_intensity.detector_id' save_ @@ -2744,24 +2740,6 @@ save_pd_calib_detected_intensity.diffractogram_id save_ -save_pd_calib_detected_intensity.id - - _definition.id '_pd_calib_detected_intensity.id' - _definition.update 2023-01-21 - _description.text -; - A code to uniquely identify each intensity calibration. -; - _name.category_id pd_calib_detected_intensity - _name.object_id id - _type.purpose Key - _type.source Assigned - _type.container Single - _type.contents Text - _enumeration.default . - -save_ - save_pd_calib_detected_intensity.phase_id _definition.id '_pd_calib_detected_intensity.phase_id' @@ -13510,4 +13488,7 @@ save_ information about the wavelength. Added _pd_meas_overall.step_count_time. + + Removed _pd_calib_detected_intensity.id as data item and category key + of PD_CALIB_DETECTED_INTENSITY. ; From 54935c51be185858f40b83ba60a18dbac5bd34e1 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Tue, 8 Jul 2025 21:26:01 +0800 Subject: [PATCH 2/7] clean up definition --- cif_pow.dic | 7 ++----- 1 file changed, 2 insertions(+), 5 deletions(-) diff --git a/cif_pow.dic b/cif_pow.dic index 0b454cb..bf3d86f 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -2656,11 +2656,8 @@ save_pd_calib_detected_intensity.detector_id _definition.update 2023-06-09 _description.text ; - A code which identifies the detector or channel number in a - position-sensitive, energy-dispersive or other multiple-detector - instrument for which the individual instrument geometry is being - defined. This code should match the code name used for - _pd_instr_detector.id. + A code which identifies the detector to which the response is being defined. + This code should match the code name used for _pd_instr_detector.id. ; _name.category_id pd_calib_detected_intensity _name.object_id detector_id From 46c3c33793820a0be43028967e12a1677baa7f95 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Tue, 8 Jul 2025 21:31:26 +0800 Subject: [PATCH 3/7] add example --- cif_pow.dic | 42 ++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 42 insertions(+) diff --git a/cif_pow.dic b/cif_pow.dic index d106d2e..2630b94 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -2648,6 +2648,48 @@ save_PD_CALIB_DETECTED_INTENSITY _name.object_id PD_CALIB_DETECTED_INTENSITY _category_key.name '_pd_calib_detected_intensity.detector_id' + loop_ + _description_example.case + _description_example.detail +; + loop_ + _pd_calib_detected_intensity.detector_id + _pd_calib_detected_intensity.detector_response + _pd_calib_detected_intensity.detector_response_su + _pd_calib_detected_intensity.diffractogram_id + _pd_calib_detected_intensity.phase_id + A 1 . DIFFRACTOGRAM_A 676A + B 1.035 0.013 DIFFRACTOGRAM_B 676A +; +; + The two detectors, A and B, have responses of 1 and 1.035, + respectively, meaning that their measured intensities must be divided + by these values to retreive their true values. These response values + were derived from an analysis of the diffraction patterns + DIFFRACTOGRAM_A and DIFFRACTOGRAM_A, both of which contain the phase + 676A. +; +; + loop_ + _pd_calib_detected_intensity.detector_id + _pd_calib_detected_intensity.detector_response + _pd_calib_detected_intensity.diffractogram_id + _pd_calib_detected_intensity.phase_id + _pd_calib_detected_intensity.special_details + 1_4913c6ed 1 . . 'Scanned through direct beam.' + 2_4913c6ed 0.973 . . 'Scanned through direct beam.' + 3_4913c6ed 0.997 . . 'Scanned through direct beam.' + 4_4913c6ed 1.039 . . 'Scanned through direct beam.' +; +; + A multi-detector system was scanned through the direct beam to + calibrate the response of each detector to a constant-intensity + source. The measured intensity derived from each detector must be + divided by the given response to obtain the actual value. No + diffraction pattern or phase was involved in the derivation of the + response values. +; + save_ save_pd_calib_detected_intensity.detector_id From cb3eed42cafbf9bbf8ea29ed1ad31aef32e53de8 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Tue, 8 Jul 2025 21:43:48 +0800 Subject: [PATCH 4/7] add another example --- cif_pow.dic | 23 +++++++++++++++++++++++ 1 file changed, 23 insertions(+) diff --git a/cif_pow.dic b/cif_pow.dic index 2630b94..05206a1 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -2652,6 +2652,8 @@ save_PD_CALIB_DETECTED_INTENSITY _description_example.case _description_example.detail ; + _audit_dataset.id cb6a263b-c573-4ec3-848e-cfa7e44f3ec6 + loop_ _pd_calib_detected_intensity.detector_id _pd_calib_detected_intensity.detector_response @@ -2689,6 +2691,27 @@ save_PD_CALIB_DETECTED_INTENSITY diffraction pattern or phase was involved in the derivation of the response values. ; +; + _audit_dataset.id cb6a263b-c573-4ec3-848e-cfa7e44f3ec6 + _pd_diffractogram.id APATTERN + + loop_ + _pd_data.point_id + _pd_meas.detector_id + _pd_meas.2theta_scan + _pd_meas.intensity_total + 1 A 10.00 1243.42(47) + 2 B 10.01 1364.36(57) + 3 A 10.02 1324.35(87) + 4 B 10.03 1298.36(74) + #... +; +; + Given identical _audit_dataset.id values and detector IDs, the + detector responses of 1 and 1.035 for detectors A and B can be + applied to this diffractogram to give the processed intensities + ready for analysis. +; save_ From 047d5a02bfa06edb5a5f3d0909324f48e91f0d90 Mon Sep 17 00:00:00 2001 From: James Hester Date: Wed, 9 Jul 2025 10:52:14 +1000 Subject: [PATCH 5/7] Minor clarifications in examples --- cif_pow.dic | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/cif_pow.dic b/cif_pow.dic index 05206a1..c6898cb 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -2668,7 +2668,7 @@ save_PD_CALIB_DETECTED_INTENSITY respectively, meaning that their measured intensities must be divided by these values to retreive their true values. These response values were derived from an analysis of the diffraction patterns - DIFFRACTOGRAM_A and DIFFRACTOGRAM_A, both of which contain the phase + DIFFRACTOGRAM_A and DIFFRACTOGRAM_B, both of which contain the phase 676A. ; ; @@ -2709,7 +2709,7 @@ save_PD_CALIB_DETECTED_INTENSITY ; Given identical _audit_dataset.id values and detector IDs, the detector responses of 1 and 1.035 for detectors A and B can be - applied to this diffractogram to give the processed intensities + applied to diffractogram APATTERN to give the processed intensities ready for analysis. ; From fcc6a6ac445eae578b89b321d32469be551319bf Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Wed, 9 Jul 2025 11:13:47 +0800 Subject: [PATCH 6/7] update example --- cif_pow.dic | 20 ++++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/cif_pow.dic b/cif_pow.dic index c6898cb..b2906e1 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -2660,8 +2660,8 @@ save_PD_CALIB_DETECTED_INTENSITY _pd_calib_detected_intensity.detector_response_su _pd_calib_detected_intensity.diffractogram_id _pd_calib_detected_intensity.phase_id - A 1 . DIFFRACTOGRAM_A 676A - B 1.035 0.013 DIFFRACTOGRAM_B 676A + A 1 . DIFFRACTOGRAM_A 676A + B 1.0350 0.0006 DIFFRACTOGRAM_B 676A ; ; The two detectors, A and B, have responses of 1 and 1.035, @@ -2700,17 +2700,17 @@ save_PD_CALIB_DETECTED_INTENSITY _pd_meas.detector_id _pd_meas.2theta_scan _pd_meas.intensity_total - 1 A 10.00 1243.42(47) - 2 B 10.01 1364.36(57) - 3 A 10.02 1324.35(87) - 4 B 10.03 1298.36(74) + _pd_proc.intensity_total + 1 A 10.00 1243.42(47) 1243.42(47) + 2 B 10.01 1364.36(57) 1318.22(94) + 3 A 10.02 1324.35(87) 1324.35(87) + 4 B 10.03 1298.36(74) 1254.45(102) #... ; ; - Given identical _audit_dataset.id values and detector IDs, the - detector responses of 1 and 1.035 for detectors A and B can be - applied to diffractogram APATTERN to give the processed intensities - ready for analysis. + The detector responses of 1 and 1.035 for detectors A and B given + in the first example have been applied to the raw measurements of + APATTERN to give processed intensities ready for analysis. ; save_ From d33c17f9964b66670bed957975c07e9287bf410f Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Wed, 9 Jul 2025 11:15:15 +0800 Subject: [PATCH 7/7] update another example --- cif_pow.dic | 10 ++++------ 1 file changed, 4 insertions(+), 6 deletions(-) diff --git a/cif_pow.dic b/cif_pow.dic index b2906e1..20ce5d2 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -2675,13 +2675,11 @@ save_PD_CALIB_DETECTED_INTENSITY loop_ _pd_calib_detected_intensity.detector_id _pd_calib_detected_intensity.detector_response - _pd_calib_detected_intensity.diffractogram_id - _pd_calib_detected_intensity.phase_id _pd_calib_detected_intensity.special_details - 1_4913c6ed 1 . . 'Scanned through direct beam.' - 2_4913c6ed 0.973 . . 'Scanned through direct beam.' - 3_4913c6ed 0.997 . . 'Scanned through direct beam.' - 4_4913c6ed 1.039 . . 'Scanned through direct beam.' + 1_4913c6ed 1 'Scanned through direct beam.' + 2_4913c6ed 0.973 'Scanned through direct beam.' + 3_4913c6ed 0.997 'Scanned through direct beam.' + 4_4913c6ed 1.039 'Scanned through direct beam.' ; ; A multi-detector system was scanned through the direct beam to