Indeed that is a bug. I've never tried that combination before. I'll fix it
Phil
On 16 Jan 2014, at 20:32, wtempel <[log in to unmask]> 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
>
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