From f36496fdc465e2ec5804cd91e2a7092db668f903 Mon Sep 17 00:00:00 2001 From: James Beilsten-Edmands <30625594+jbeilstenedmands@users.noreply.github.com> Date: Thu, 3 Nov 2022 12:26:28 +0000 Subject: [PATCH] Add example integrated files from vmxi serial grid scans on DtpB. (#405) --- .../definitions/dtpb_serial_processed.yml | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) create mode 100644 dials_data/definitions/dtpb_serial_processed.yml diff --git a/dials_data/definitions/dtpb_serial_processed.yml b/dials_data/definitions/dtpb_serial_processed.yml new file mode 100644 index 0000000..292a45c --- /dev/null +++ b/dials_data/definitions/dtpb_serial_processed.yml @@ -0,0 +1,17 @@ +name: xia2.ssx output of processing a DtpB SSX data set from VMXi +author: James Beilsten-Edmands (2022) +license: CC-BY 4.0 +description: > + Processed data from DtpB taken on VMXi beamline at Diamond Light + Source in Feb 2022, visit nt30330-15, courtesy of Mike Hough and James Sandy. + + The integrated files were generated from xia2.ssx processing of grid + scans on two wells of dye-type peroxidase (DtpB). The files were generated + with dials version 3.12.0, as described in the entry in dials/data-files. + + +data: + - url: https://github.com/dials/data-files/raw/3849a695d7a136d6e93584ccefc17ef59de8c815/ssx_DtpB_test_data/well39_batch12_integrated.expt + - url: https://github.com/dials/data-files/raw/3849a695d7a136d6e93584ccefc17ef59de8c815/ssx_DtpB_test_data/well39_batch12_integrated.refl + - url: https://github.com/dials/data-files/raw/3849a695d7a136d6e93584ccefc17ef59de8c815/ssx_DtpB_test_data/well42_batch6_integrated.expt + - url: https://github.com/dials/data-files/raw/3849a695d7a136d6e93584ccefc17ef59de8c815/ssx_DtpB_test_data/well42_batch6_integrated.refl