Re: [phenixbb] unknown space group problem

Hi Angela, Thanks for sending me the data. I'm sorry about the problem reading your mtz files. The problem with reading the files is that some of the amplitudes in the mtz files are very big, leading to overflows written out as "****" when AutoSol converts them to .sca files. This problem is fixed in the current version of AutoSol, but that doesn't help you much. In the meantime, the solution is to convert the mtz files to sca and scale them so they don't overflow. I used phenix to do this with iotbx.reflection_file_converter idhrem_i23.mtz --label='F_refm101(+)' --sca=rem.sca to do this. The 3 .sca files seem to run ok now. I'm having trouble sending attachments so I didn't attach it, but if you have trouble reproducing my result I'll be happy to send you the converted files. All the best, Tom T

----- Original Message ----- From: Tom Terwilliger Date: Thursday, March 2, 2006 4:48 pm Subject: Re: [phenixbb] unknown space group problem

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Hi Angela, Thanks! Yes, could you please rename the zip file to ".txt" and re- send? Our email system deletes all zip files! Thanks! -Tom T

3/2/2006 -0600, you wrote:

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I am sending the output where the label error occurs as well as a zip file with the three merged mtz files. I hope a zip file is okay, if it isn't, let me know and I can try and get a tar file. These data sets have been integrated in I23.

I have been trying to reintegrate the data in H3 as suggested, but Mosflm is giving me a lot of problems with this space group. The predictions don't align with the reflections and sometimes it crashes (this was not a problem with R3 or I23).

Thanks, Angela

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