On inspecting the code, it turns out that this is not much a bug as a feature. I will try to make it an ex-feature, but it will take a little work
The work-around is to convert the .sca file to MTZ first, using scalepack2mtz. Note that a merged Scalepack file (unlike an unmerged one) does contain the unit cell, so this shouldn't need to be specified Phil On 16 Jan 2014, at 20:32, wtempel <[email protected]> wrote: > Hello, > using merged scalepack intensities and a reference MTZ file as inputs, I > would like to prepare an MTZ of scalepack intensities reindexed so that the > intensities optimally correspond to those in the reference MTZ file. > > Invoking POINTLESS with the > CELL, SCAIN, HKLREF keywords results in > > CCP4MTZfile: open_read - File missing or corrupted:<myscalepackoutput.sca> > hkl_merged_list: object not constructed > > > > > Does pointless expect non-merged scalepack intensities, even though I assume > the Laue group of the reference MTZ file? > > > > > I could use "no merge original index" scalepack reflections were not that > reflection file format lacking the unit cell dimensions. For simplicity and > reliability, I would like to use an input file that provides both intensities > and the corresponding cell dimensions. > > Can I achieve my goal by invoking POINTLESS differently. Could I provide > merged reflections in MTZ format? Are there better approaches to my problem? > > Thank you for your consideration, > > > > > Wolfram Tempel >
