[ccp4bb] Indexing with XDS

2012-10-08 Thread Theresa Hsu
Dear all I took some images from test crystal and tried to index them to get cell parameters, not enough for structure solution. I can see spots at 3.5 A with ADXV but when I indexed, XDS reports up to 3.0 A in INCLUDE_RESOLUTION_RANGE in XDS_ASCII.HKL. Questions: 1. How do I know that the sp

Re: [ccp4bb] Indexing with XDS

2012-10-09 Thread A Leslie
Dear Theresa In response to your first question, one way to do this is to look closely at the image (eg changing the contrast level) with the predicted pattern superimposed after indexing, or alternatively just integrate the image and look at the reported mean I/sigmaI as a function of re

Re: [ccp4bb] Indexing with XDS

2012-10-09 Thread Kay Diederichs
Dear Theresa, concerning your first sentence which is a bit short to my taste: if you index, you expect to find the cell parameters. These enable you to process the dataset. At the end of processing, a decision has to be made about the spacegroup. Only then structure solution can be tried, usin