Hi Almudena I wouldn't claim to be a great expert on XDS, but, based on the experience of analyzing a load of data on the beamline, there are many things you can try - The most important ones are to use lots (all?) your images for the spot search (SPOT_RANGE) , and not to hesitate cutting the resolution limit for the search to something very low where the spots are not streaky (3, 4, 5 Angstrom?). There may be "good regions" and "bad regions", so you can get the integration "going" from a good region. Once things are indexed and analyse OK you can add the other data back. Other interesting keywords will be STRONG_PIXEL (might need to be bigger or smaller!), MAXIMUM_NUMBER_OF_PIXELS_IN_A_SPOT (same) and DELPHI (once you have indexed) Since you have processed one data set, you can give XDS the correct unit cell, that always helps. Once you have got the integration going, *save* the processing directory as, with terrible looking spots, you can get "driven away" from the right indexing by the post refinement. I always add data in "block by block". I have successfully processed some pretty awful looking data with XDS, but it needs a bit of determination and quite a lot of time (hours, not minutes), so only invest if the data set is just unique.... Good luck Andy
________________________________________ De : CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] de la part de Almudena Ponce Salvatierra [maps.fa...@gmail.com] Envoyé : vendredi 29 novembre 2019 12:48 À : CCP4BB@JISCMAIL.AC.UK Objet : [ccp4bb] 8/ 2263 spots indexed XDS Dear all, I have some data sets that don't want to be processed :p In one of them, when I look at IDXREF.LP I see virtually none of the found spots were indexed and the reason is that they are "too far from the expected position". The spots are smeary and elongated, so not the prettiest. I have managed to process so far only one data set with decent statistics from another crystal harvested from the same drop, where the diffraction spots look better. I am trying to find in the xds wiki the keyword I should fine tune in order to make those spots indexable. Could you help me please? Thank you very much in advance. Best wishes, Almu ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
