Hi Andy, thank you so much for your comprehensive answer. I have played with all those parameters, following the instructions I found in the XDS wiki, as they seem to be those having an influence in spot picking. However, I have then realized it is not a matter of the number of spots, but rather a matter of how many of them are indexed.
I will get back to you and to everybody once I find out what is going wrong. Thank you very much and thank you very much everyone for all your replies :) Best, Almu El vie., 29 nov. 2019 a las 13:34, THOMPSON Andrew (< andrew.thomp...@synchrotron-soleil.fr>) escribió: > 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
