Avoid re-import of hkl data when solving structures in SHELXT

ChemCryst / crystals

Refinement and analysis of structures against single crystal diffraction data

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Avoid re-import of hkl data when solving structures in SHELXT #277

Closed richardicooper closed 3 months ago

richardicooper commented 3 months ago

(DJW fixes) Previous default reimported merged data resulting in loss of useful statistics. xshelxt.scp now uses '-n' flag for shelx2cry.exe If '-n' is specified, shelx2cry.exe does not put hkl importing code into output.