Mengbin,
This happens in HKL2000 with tough datasets. The data can sometime appear to be very nice, possibly some high mosaicity, but still not process properly. I have seen this many times. As mentioned already, the next step is to start trying different things to get the data to process. WIthout knowing more about resolution, etc, here is a few things to try.
1- Check and the double check the beam center. Then, check it again! With troublesome datasets, this is EXTREMELY important. In HKL2000, everytime you hit Abort Refinement, you have to reset the beamcenter again. SO monitor the beam center and everytime it gets too far away from the actual numbers, reset it.
2- you want to try to have roughly 100 peaks for indexing at minimum (if possible), so change the resolution limits to 15 ang - 4 ang, then retry indexing. IF this does not work, try 15-5ang, then 12-5, then 10-5, etc.
3- If #2 doesn't work, then you can alway try indexing using multiple frames, esp if you don't have a enough peaks on the first frame. To do this, please see the HKL2000 manual, or let me know, i can send you some screenshots or give you a call to guide you via phone. here, you can use 5-10 frames for indexing if needed.
4- as a last option, you can always manually select your peaks. i have had this work nicely in the past, but again, last option.
5- you could try other data processing programs too such as MoSFLM, XDS, Xia2, etc.
If you still don't get it working, i am more than happy to take a quick look. Just send me one of your frames to analyse. Of course, everything will be strictly confidential. Thanks in advance and good luck!
Cheers,
Nick
________________________________
From: Mengbin Chen [mengbinc@sas.upenn.edu]
Sent: Thursday, August 15, 2013 3:12 PM
To: PHENIX user mailing list
Subject: [phenixbb] HKL2000 behaved weirdly
Dear All,
I used HKL2000 to index my data, but weird things happened: after I hit peak search, the data were selected to index, and I chose primitive triclinic to continue. After I hit refine, the circles for peak search disappeared, and if I hit "Bravais Lattice", the table would not show up, which meant that I could not proceed to refine in the potentially correct Bravais Lattice. I don't know if anyone else has encountered this problem before, so any suggestions would be greatly appreciated!
Thank you in advance,
Mengbin
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Mengbin Chen
Department of Chemistry
University of Pennsylvania