===== XDS procedure =====


<code>
>setxds
>xdsgui
</code>

Create a project in the xds subfolder
Load the first frame of the dataset from /syno/frames/date_beamline/drop/...
Generate XDS.INP
Run XDS

  * if the correct spacegroup and cell parameters were not identified by IDREF, provide them in XDS.INP
  * if there is no anomalous signal to use, specify <q>FRIEDEL_LAW= TRUE</q>

Check the statistics and estimate the resolution limit at which CC(1/2)=0.1 (the last shell with a star)
Re-run XDS with the specified resolution limit with only <q>JOB= CORRECT</q>


**Item to check in XDS**

  * FRAME.cbf (last frame processed by INTEGRATE) for spot shape, splitting, multiple lattice, predicted/observed diffraction pattern, ice rings
  * INTEGRATE.LP jumps or large changes in frame-wise parameters (sacle factors, mosaicity, beam divergence, cell, distance, ...)
  * CORRECT.LP reports systematic errors (ISa) and precision of unmerged and merged intensities (Rmeas and CC(1/2))

Run XDSSTAT to analyze XDS_ASCII.HKL in XDSSTAT.LP