From ea11b09d8c446cd6729bc1ece7e2aa36fbaec436 Mon Sep 17 00:00:00 2001 From: James Beilsten-Edmands <30625594+jbeilstenedmands@users.noreply.github.com> Date: Tue, 27 Jan 2026 14:38:53 +0000 Subject: [PATCH 1/2] Add lysozyme_ssx_processed definition --- dials_data/definitions/lysozyme_ssx_processed.yml | 15 +++++++++++++++ 1 file changed, 15 insertions(+) create mode 100644 dials_data/definitions/lysozyme_ssx_processed.yml diff --git a/dials_data/definitions/lysozyme_ssx_processed.yml b/dials_data/definitions/lysozyme_ssx_processed.yml new file mode 100644 index 00000000..da2c47a7 --- /dev/null +++ b/dials_data/definitions/lysozyme_ssx_processed.yml @@ -0,0 +1,15 @@ +name: xia2.ssx output of processing lysozyme SSX data set from I24 +author: James Beilsten-Edmands (2026) +license: CC-BY 4.0 +description: > + Processed integrated datafiles from ssx processing of 10.5281/ZENODO.17160798 (lysozyme from beamline + I24 at Diamond Light Source). + + Processed with command xia2.ssx image=lysozyme_25keV.nxs unit_cell=79,79,38,90,90,90 + space_group=P43212, in January 2026. Intended for testing data reduction programs on SSX + data originating in nxs files. Integrated files contain data from 21 crystals. + + +data: + - url: https://github.com/dials/data-files/raw/7106f7a50c03c2f9ec9c53043027f671da1707a5/lysozyme_ssx_processed/integrated.expt + - url: https://github.com/dials/data-files/raw/7106f7a50c03c2f9ec9c53043027f671da1707a5/lysozyme_ssx_processed/integrated.refl From 232e6ef75618fdc42951a1ef93c4facea67f70cb Mon Sep 17 00:00:00 2001 From: James Beilsten-Edmands <30625594+jbeilstenedmands@users.noreply.github.com> Date: Tue, 27 Jan 2026 16:49:19 +0000 Subject: [PATCH 2/2] Update url --- dials_data/definitions/lysozyme_ssx_processed.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/dials_data/definitions/lysozyme_ssx_processed.yml b/dials_data/definitions/lysozyme_ssx_processed.yml index da2c47a7..d9f5f70e 100644 --- a/dials_data/definitions/lysozyme_ssx_processed.yml +++ b/dials_data/definitions/lysozyme_ssx_processed.yml @@ -11,5 +11,5 @@ description: > data: - - url: https://github.com/dials/data-files/raw/7106f7a50c03c2f9ec9c53043027f671da1707a5/lysozyme_ssx_processed/integrated.expt - - url: https://github.com/dials/data-files/raw/7106f7a50c03c2f9ec9c53043027f671da1707a5/lysozyme_ssx_processed/integrated.refl + - url: https://github.com/dials/data-files/raw/915d2ff56522ff178aca578574e5be20c33e4dfc/lysozyme_ssx_processed/integrated.expt + - url: https://github.com/dials/data-files/raw/915d2ff56522ff178aca578574e5be20c33e4dfc/lysozyme_ssx_processed/integrated.refl