xia2 / xia2

An expert system for automated reduction of X-ray diffraction data from macromolecular crystals
https://xia2.github.io/
BSD 3-Clause "New" or "Revised" License
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VDS messes up "are nxs and master.h5" test #425

Open graeme-winter opened 4 years ago

graeme-winter commented 4 years ago

Derived from https://github.com/dials/dials/issues/1088

Grey-Area i04-ins :) $ ls|cat
insu_d200_1.nxs
insu_d200_1_000001.h5
insu_d200_1_000002.h5
insu_d200_1_1.nxs
insu_d200_1_2.nxs
insu_d200_1_3.nxs
insu_d200_1_4.nxs
insu_d200_1_5.nxs
insu_d200_1_6.nxs
insu_d200_1_master.h5
insu_d200_1_meta.h5

Got 6 x nxs files - should read as 6 data sets but

Grey-Area vds :) $ xia2 image=/Users/graeme/data/i04-ins/insu_d200_1_1.nxs image=/Users/graeme/data/i04-ins/insu_d200_1_2.nxs image=/Users/graeme/data/i04-ins/insu_d200_1_3.nxs image=/Users/graeme/data/i04-ins/insu_d200_1_4.nxs image=/Users/graeme/data/i04-ins/insu_d200_1_5.nxs image=/Users/graeme/data/i04-ins/insu_d200_1_6.nxs

only uses

Grey-Area vds :( $ cat automatic.xinfo 
BEGIN PROJECT AUTOMATIC
BEGIN CRYSTAL DEFAULT

BEGIN WAVELENGTH NATIVE
WAVELENGTH 0.979499
END WAVELENGTH NATIVE

BEGIN SWEEP SWEEP1
WAVELENGTH NATIVE
DIRECTORY /Users/graeme/data/i04-ins
IMAGE insu_d200_1_1.nxs
START_END 1 300
END SWEEP SWEEP1

END CRYSTAL DEFAULT
END PROJECT AUTOMATIC

\o/ emergent behaviour

Not critical as is something of a corner case but this did work in the past

stale[bot] commented 4 years ago

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