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XDS output format changed, so xdsme doesn't work anymore #27

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Fravadona opened this issue Nov 18, 2024 · 0 comments
Open

XDS output format changed, so xdsme doesn't work anymore #27

Fravadona opened this issue Nov 18, 2024 · 0 comments

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@Fravadona
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Hi,

We're having some issues with running xdsme on our locally acquired datasets:

>> Interpreting header of image:  ../dataset_1_001.mar1800
>> Image format:      mar
>> Detector type:     MarIPD 345
>> Image Compression:	pck

    xdsme: XDS Made Easier

       XDS   version:  Jun 30, 2023  BUILT=20230630 
       xdsme version:            0.6.6.0

    Diffraction Setup Parameters:

  Detector distance:               140.00 mm
  X-ray wavelength:                1.5418 A
  Oscillation range:               1.0000 degree

  Beam coordinate X:                900.0 pixel
                  Y:                900.0 pixel
  Image range:                   [1, 196]

  Selected resolution range:       50.00 - 2.74 A
  Number of processors available:      8

Traceback (most recent call last):
  File "/opt/xdsme/bin/noarch/xdsme", line 1987, in <module>
    R1 = newrun.run_init()
  File "/opt/xdsme/bin/noarch/xdsme", line 967, in run_init
    res = XDSLogParser("INIT.LP", run_dir=self.run_dir, verbose=1)
  File "/opt/xdsme/bin/noarch/xdsme", line 400, in __init__
    raise IOError, "Can't read file: %s" % full_filename
IOError: Can't read file: xdsme_dataset_1/INIT.LP

The cause of this issue is that starting from XDS-20240712, the input and output of XDS were modified (see Release notes).

I tried to run xds with the XDS.INP generated by xdsme and it errputs a message about the STRONG_PIXEL keyword not being recognized; so I modified all occurrences of STRONG_PIXEL with SIGNAL_PIXEL in the code, which made xdsme run a little further but still crashed afterwards.

Could you update xdsme to make it work with the latest XDS releases?
Thank you for your support.

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