From 770559c1b7d6034930763bc25b91a426345329d5 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Thu, 19 Jun 2025 23:23:24 +0800 Subject: [PATCH 1/4] example PD_SPEC --- cif_pow.dic | 33 +++++++++++++++++++++++++++++++++ 1 file changed, 33 insertions(+) diff --git a/cif_pow.dic b/cif_pow.dic index 3399f86..1a3e5ae 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -12140,6 +12140,37 @@ save_PD_SPEC _name.category_id PD_GROUP _name.object_id PD_SPEC _category_key.name '_pd_spec.id' + _description_example.case +; + _pd_spec.prep_id ABC123_main + _pd_spec.id ABC123_03 + _pd_spec.description 'Iron ore from FeOre Inc. ID number ABC123' + _pd_spec.mount_mode reflection + _pd_spec.mounting 'back-packed powder pellet' + _pd_spec.orientation horizontal + _pd_spec.preparation + ; + 50 g of received sample was homogenised and cone-and-quartered + to obtain a 3 g split. 1 g of ɑ-alumina was added as an internal + standard. The specimen was micronised for 15 min with 15 ml of + ethanol and dried at 45 °C. The resulting powder was backpressed + into a holder with a semi-automated press. + ; + _pd_spec.shape flat_sheet + _pd_spec.size_axial 25.0 + _pd_spec.size_equat 25.0 + _pd_spec.size_thick 3.5 +; + _description_example.detail +; + A specimen of iron ore, from FeOre Inc., with an added internal + standard was prepared for analysis. The sample from which the specimen + was prepared is identified by a _pd_prep.id values of "ABC123_main". + The data were collected in reflection on an instrument where the + incident and diffracted beams are vertical. The specimen flat, and is + 25.0 x 25.0 mm, or it could be inferred to be 25 mm diameter. + The specimen was prepared as described. +; save_ @@ -12830,4 +12861,6 @@ save_ Updated descriptions of data items linked to _pd_data.point_id to clarify that identical values refer to the same data point in each disparate loop; they cannot be assigned values independently. + + Added example PD_SPEC ; From 40359712c89f3ae355da45e06f55d0f51df06351 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Fri, 20 Jun 2025 18:53:53 +0800 Subject: [PATCH 2/4] Update cif_pow.dicwhitespace Co-authored-by: Antanas Vaitkus --- cif_pow.dic | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cif_pow.dic b/cif_pow.dic index 1a3e5ae..37d53a5 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -12153,7 +12153,7 @@ save_PD_SPEC 50 g of received sample was homogenised and cone-and-quartered to obtain a 3 g split. 1 g of ɑ-alumina was added as an internal standard. The specimen was micronised for 15 min with 15 ml of - ethanol and dried at 45 °C. The resulting powder was backpressed + ethanol and dried at 45 °C. The resulting powder was backpressed into a holder with a semi-automated press. ; _pd_spec.shape flat_sheet From f2d88a584f1840366908fbba1b48d9f9fc480148 Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Fri, 20 Jun 2025 18:54:12 +0800 Subject: [PATCH 3/4] typo correction Co-authored-by: Antanas Vaitkus --- cif_pow.dic | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cif_pow.dic b/cif_pow.dic index 37d53a5..6309df7 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -12165,7 +12165,7 @@ save_PD_SPEC ; A specimen of iron ore, from FeOre Inc., with an added internal standard was prepared for analysis. The sample from which the specimen - was prepared is identified by a _pd_prep.id values of "ABC123_main". + was prepared is identified by a _pd_prep.id value of "ABC123_main". The data were collected in reflection on an instrument where the incident and diffracted beams are vertical. The specimen flat, and is 25.0 x 25.0 mm, or it could be inferred to be 25 mm diameter. From 88ddd2ee5871a8f9d27971b0bb91976402bb39ed Mon Sep 17 00:00:00 2001 From: Matthew Rowles Date: Fri, 20 Jun 2025 19:27:05 +0800 Subject: [PATCH 4/4] whitespace --- cif_pow.dic | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cif_pow.dic b/cif_pow.dic index 3f5a628..2d90664 100644 --- a/cif_pow.dic +++ b/cif_pow.dic @@ -12973,7 +12973,7 @@ save_ Updated descriptions of data items linked to _pd_data.point_id to clarify that identical values refer to the same data point in each disparate loop; they cannot be assigned values independently. - + Added examples to PD_CALC_OVERALL, PD_CALIB_INCIDENT_INTENSITY, PD_CHAR, _pd_diffractogram.id, PD_PHASE_MASS, PD_SPEC. ;