SHELX only gives phases for the I+ (or actually I suppose Imean) so you may not expect to get 100% completeness. Geed your sca file into the scalepack2mtz task - that gives you a file with h k l I+ SigI+ I- SigI-
Maybe automatically that goes into truncate to generate h k l Fmean SigFmean F+ SigF+ F- SigF- Imean I+ SigI+ I- SigI- and FreeRlag to add FreeR flags.. (look at the completeness of that file as well as the intensity statistic plots) And then combine that one with the SHELX PHI FOM Is that OK? Eleanor On 14 November 2013 23:14, Yarrow Madrona <[email protected]> wrote: > Hi Yury, > > Your idea seemed to work well, however I now have 50% completeness in phi > and 100% completeness in Intensities. > > I am not sure where I am going wrong. > > > H K L IMEAN FOM PHI SIGIMEAN >> Hi Yarrow, >> >> You may consider producing mtz file from your original .sca or .hkl file >> first. Then take the .mtz file you have created from a .phs file and merge >> the two using CAD in CCP4. I assume you need only phase information from >> you .phs file, so select only two sets of parameters - FOM and PHIB - from >> there and take the rest from the first file. The result will be a complete >> merge.mtz with all original data plus phase information. This will assure >> you do not loose anything on the way. >> >> Good luck, >> >> >> Yury >> >> >> ________________________________________ >> From: CCP4 bulletin board [[email protected]] on behalf of Yarrow >> Madrona [[email protected]] >> Sent: Thursday, November 14, 2013 3:43 PM >> To: [email protected] >> Subject: [ccp4bb] [CCP4] Converting ShelX .phs to mtz >> >> Hello CCP4 users, >> >> I seem to be loosing data (50%) when converting shelX .phs reflelection >> file to mtz format using F2MTZ. I think it has something to do with >> loosing my anamolous data. Is it possible to merge the anamolous data >> before conversion or to tell F2MTZ to include it. >> >> These are my labels: >> >> H K L I FOM PHI SIGI >> >> Thank you >> >> Yarrow Madrona >> >> >> >> > > > -- > Yarrow Madrona > > Graduate Student > Molecular Biology and Biochemistry Dept. > University of California, Irvine > Natural Sciences I, Rm 2403 > Irvine, CA 92697
