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Hi All: I am trying POINTLESS for detecting real space group using data processed by HKL2000. Apparently, POINTLESS cries for unmerged data. I understand using Mosflm might be the best in this case, but I am not familiar with the program. So I did the following to rescue but not sure if it is the right thing. 1) Integrate (denzo) as P1 space group in HKL2000. 2) Scalepack in P1 with keyword "no merge". 3) Using COMBAT in CCP4 to covert to mtz and specify the input .sca file as "Scalepack file nomerged (no partials)". What I am more curious about, is what exactly does "unmerged" mean? Does it mean not reduced to asymmetric unit? Or something happened much earlier in data processing, like the "no partials" comment in COMBAT seems to suggest? If it is the latter case, why is it so important for symmetry analysis in POINTLESS? Regards, Weikai
