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name: DIALS output of processing an L-cysteine dataset
author: Ben Williams, Richard Gildea, Graeme Winter (2019)
license: CC-BY 4.0
description: >
Typical DIALS output for a small-molecule dataset.
These were derived from the DIALS small molecule tutorial L-cysteine dataset
(https://zenodo.org/record/51405 files l-cyst_0[1-4].tar.gz).
The first 15 images from each sweep (corresponding to 1.5° wedges) are also included here.
The imported.expt file was then generated using
$ dials.import allow_multiple_sweeps=True l-cyst_0*cbf
and the strong.refl file was generated using
$ dials.find_spots imported.expt
The indexed.expt and indexed.refl were generated using
$ dials.index imported.expt strong.refl
The integrated files 11_integrated.* and 23_integrated.* were created by running xia2 on
the first ten images (1° wedge) of each of the first two sweeps.
Intended to serve as test data for the behaviour of DIALS when there are few reflections,
their provenance is documented in slightly more detail at the source repository.
data:
- url: https://dials.diamond.ac.uk/regression_data/l-cysteine_four_sweeps/datablock.json
- url: https://dials.diamond.ac.uk/regression_data/l-cysteine_four_sweeps/strong.pickle
- url: https://github.com/dials/data-files/raw/24e1b982fe25006d4d94f17ac1f845481cd2593c/l_cysteine_dials_output/imported.expt
- url: https://github.com/dials/data-files/raw/24e1b982fe25006d4d94f17ac1f845481cd2593c/l_cysteine_dials_output/indexed.expt
- url: https://github.com/dials/data-files/raw/24e1b982fe25006d4d94f17ac1f845481cd2593c/l_cysteine_dials_output/strong.refl
- url: https://github.com/dials/data-files/raw/24e1b982fe25006d4d94f17ac1f845481cd2593c/l_cysteine_dials_output/indexed.refl
- url: https://github.com/dials/data-files/raw/6c80c466777cb9cf5a14f963485364461e5a6ea5/l_cysteine_integrated/20_integrated.pickle
- url: https://github.com/dials/data-files/raw/6c80c466777cb9cf5a14f963485364461e5a6ea5/l_cysteine_integrated/20_integrated_experiments.json
- url: https://github.com/dials/data-files/raw/6c80c466777cb9cf5a14f963485364461e5a6ea5/l_cysteine_integrated/25_integrated.pickle
- url: https://github.com/dials/data-files/raw/6c80c466777cb9cf5a14f963485364461e5a6ea5/l_cysteine_integrated/25_integrated_experiments.json
- url: https://github.com/dials/data-files/raw/6c80c466777cb9cf5a14f963485364461e5a6ea5/l_cysteine_integrated/30_integrated.pickle
- url: https://github.com/dials/data-files/raw/6c80c466777cb9cf5a14f963485364461e5a6ea5/l_cysteine_integrated/30_integrated_experiments.json
- url: https://github.com/dials/data-files/raw/6c80c466777cb9cf5a14f963485364461e5a6ea5/l_cysteine_integrated/35_integrated.pickle
- url: https://github.com/dials/data-files/raw/6c80c466777cb9cf5a14f963485364461e5a6ea5/l_cysteine_integrated/35_integrated_experiments.json
- url: https://github.com/dials/data-files/raw/71e13e5e4721cf34616d1f079df74b24fc170a9f/l_cysteine_narrow_wedge/11_integrated.expt
- url: https://github.com/dials/data-files/raw/695fa34615ec0d8cef28c8a8075ac35a193182e0/l_cysteine_narrow_wedge/11_integrated.refl
- url: https://github.com/dials/data-files/raw/71e13e5e4721cf34616d1f079df74b24fc170a9f/l_cysteine_narrow_wedge/23_integrated.expt
- url: https://github.com/dials/data-files/raw/695fa34615ec0d8cef28c8a8075ac35a193182e0/l_cysteine_narrow_wedge/23_integrated.refl
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_01_00001.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_01_00002.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_01_00003.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_01_00004.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_01_00005.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_01_00006.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_01_00007.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_01_00008.cbf
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- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_01_00010.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_01_00011.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_01_00012.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_01_00013.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_01_00014.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_01_00015.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00001.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00002.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00003.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00004.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00005.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00006.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00007.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00008.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00009.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_02_00010.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_02_00011.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_02_00012.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_02_00013.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_02_00014.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_02_00015.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_03_00001.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_03_00002.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_03_00003.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_03_00004.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_03_00005.cbf
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- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_03_00007.cbf
- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_03_00008.cbf
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- url: https://github.com/dials/data-files/raw/621009755e1f6dcaf7c1d1275d31b8af9efa70e5/l_cysteine/l-cyst_03_00010.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_03_00011.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_03_00012.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_03_00013.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_03_00014.cbf
- url: https://github.com/dials/data-files/raw/3c264ff4f5bee86ce6a7824e9667b865b2bd3147/l_cysteine/l-cyst_03_00015.cbf
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