Hi Almu, I have yet to see a data set with clear reflections that cannot be indexed with XDS. The most often reason for failure is some wrong input, most often ORGX/ORGY and ROTATION_AXIS, but of course OSCILLATION_RANGE, X-RAY_WAVELENGTH, DETECTOR_DISTANCE must also be correct. If you cannot solve the problem, then I offer my help - make the raw data available to me, using some cloud service, and I'll take a look. I'll keep your data confidential of course.
best, Kay On Fri, 29 Nov 2019 16:06:53 +0100, Almudena Ponce Salvatierra <maps.fa...@gmail.com> wrote: >Thank you Tim, > >I will try and let you know how it goes. > >All the best, > >Almudena > >El vie., 29 nov. 2019 a las 14:43, Tim Gruene (<tim.gru...@univie.ac.at>) >escribió: > >> Dear Almudena, >> >> SPOT_MAXIMUM-CENTROID is probably the keyword in XDS.INP that you want to >> increase in your situation. The default is 3. Try e.g. 5, and increase >> slowly >> to make sure that the suggested solution makes sense >> >> Best regards, >> Tim >> >> On Friday, November 29, 2019 12:48:11 PM CET Almudena Ponce Salvatierra >> wrote: >> > 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 >> >> -- >> -- >> Tim Gruene >> Head of the Centre for X-ray Structure Analysis >> Faculty of Chemistry >> University of Vienna >> >> Phone: +43-1-4277-70202 >> >> GPG Key ID = A46BEE1A >> > >######################################################################## > >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
