Tim

I think you could import it using COMBAT (with the "user-define" option), making a file which could be merged with Scala.

Scala can also write a scaled but unmerged mtz file, but I don't whether other programs can use this

It would easy for me to make POINTLESS read unmerged hkl files if this was useful. Does the file just contain "h k l I sigma"? It would need the cell dimensions as well

Best wishes
Phil Evans

On 29 May 2008, at 20:32, Tim Gruene wrote:

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Hello everyone,

we have been trying to convert an unmerged hkl-file to mtz such that the labels F+/F- or F/DANO (or I+/- etc respectively) are calculated, and failed so far.

We would appreciate a hint towards the correct program/ options to use.

Cheers, Tim


- --
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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