From 23999f9d973ab46a1dbeb2a4a8895b3699e6545f Mon Sep 17 00:00:00 2001 From: James Beilsten-Edmands <30625594+jbeilstenedmands@users.noreply.github.com> Date: Fri, 13 Jun 2025 15:56:15 +0100 Subject: [PATCH] Add example integrated XDS data files --- dials_data/definitions/insulin_processed_xds_1.yml | 11 +++++++++++ dials_data/definitions/insulin_processed_xds_2.yml | 11 +++++++++++ 2 files changed, 22 insertions(+) create mode 100644 dials_data/definitions/insulin_processed_xds_1.yml create mode 100644 dials_data/definitions/insulin_processed_xds_2.yml diff --git a/dials_data/definitions/insulin_processed_xds_1.yml b/dials_data/definitions/insulin_processed_xds_1.yml new file mode 100644 index 00000000..d3a5d197 --- /dev/null +++ b/dials_data/definitions/insulin_processed_xds_1.yml @@ -0,0 +1,11 @@ +name: XDS processed data from insulin example dataset +author: James Beilsten-Edmands +license: CC-BY 4.0 +description: > + Generated with xia2 $(dials.data get -q insulin) image_range=1,20 pipeline=3dii + DIALS version 3.24.3, XDS version BUILT=20241002. + Provides an XDS.INP and INTEGRATE.HKL file + +data: + - url: https://github.com/dials/data-files/raw/42014599c65ae14f9f7a01b9d44c13245b40843e/insulin_processed_xds/images_1_20/INTEGRATE.HKL + - url: https://github.com/dials/data-files/raw/42014599c65ae14f9f7a01b9d44c13245b40843e/insulin_processed_xds/images_1_20/XDS.INP diff --git a/dials_data/definitions/insulin_processed_xds_2.yml b/dials_data/definitions/insulin_processed_xds_2.yml new file mode 100644 index 00000000..681f70b5 --- /dev/null +++ b/dials_data/definitions/insulin_processed_xds_2.yml @@ -0,0 +1,11 @@ +name: XDS processed data from insulin example dataset +author: James Beilsten-Edmands +license: CC-BY 4.0 +description: > + Generated with xia2 $(dials.data get -q insulin) image_range=26,45 pipeline=3dii + DIALS version 3.24.3, XDS version BUILT=20241002. + Provides an XDS.INP and INTEGRATE.HKL file + +data: + - url: https://github.com/dials/data-files/raw/42014599c65ae14f9f7a01b9d44c13245b40843e/insulin_processed_xds/images_26_45/INTEGRATE.HKL + - url: https://github.com/dials/data-files/raw/42014599c65ae14f9f7a01b9d44c13245b40843e/insulin_processed_xds/images_26_45/XDS.INP