Re: [ccp4bb] 8/ 2263 spots indexed XDS

2019-12-06 Thread Almudena Ponce Salvatierra
Dear all, after a week looking more closely into the datasets, also with the help of Manfred Weiss and Kay Diederichs, who kindly offered to look at some of them, I come back to you to report on our findings (should this info be useful in the future to any of you). Thank you very much everybody fo

Re: [ccp4bb] AW: [EXTERNAL] [ccp4bb] 8/ 2263 spots indexed XDS

2019-12-02 Thread Harry Powell
Herman > > Von: Almudena Ponce Salvatierra <mailto:maps.fa...@gmail.com>> > Gesendet: Samstag, 30. November 2019 11:00 > An: Schreuder, Herman /DE <mailto:herman.schreu...@sanofi.com>> > Cc: CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> > Betreff: Re

[ccp4bb] AW: [EXTERNAL] [ccp4bb] 8/ 2263 spots indexed XDS

2019-12-02 Thread Schreuder, Herman /DE
: Samstag, 30. November 2019 11:00 An: Schreuder, Herman /DE Cc: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [EXTERNAL] [ccp4bb] 8/ 2263 spots indexed XDS EXTERNAL : Real sender is maps.fa...@gmail.com<mailto:maps.fa...@gmail.com> Hi Herman, thank you for your answer. Yes, my data were collected

Re: [ccp4bb] 8/ 2263 spots indexed XDS

2019-12-02 Thread Clemens Vonrhein
Hi Almu, some other pointers that might be useful in your case: * Check the list of known beamline configurations (and particulars) at [1] and [2] to see if there is something you need to tell the processing software about. * If you have multiple lattices, split spots or ice rings (or

Re: [ccp4bb] 8/ 2263 spots indexed XDS

2019-11-30 Thread Almudena Ponce Salvatierra
Hi Raphael, Thank you very much. I tried yesterday with different origins and I have changed the REFINE(IDXREF) keyword several times as to refine BEAM, POSITION, DISTANCE... I have to keep trying because fo far I didn't succeed. I will get back to you once I find what the problem is. Thank you

Re: [ccp4bb] 8/ 2263 spots indexed XDS

2019-11-30 Thread Almudena Ponce Salvatierra
> 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, >

Re: [ccp4bb] [EXTERNAL] [ccp4bb] 8/ 2263 spots indexed XDS

2019-11-30 Thread Almudena Ponce Salvatierra
sing the refined > parameters of the successful run. > > > > Good luck! > > Herman > > > > *Von:* CCP4 bulletin board *Im Auftrag von *Almudena > Ponce Salvatierra > *Gesendet:* Freitag, 29. November 2019 12:48 > *An:* CCP4BB@JISCMAIL.AC.UK > *Betre

Re: [ccp4bb] 8/ 2263 spots indexed XDS

2019-11-30 Thread Almudena Ponce Salvatierra
Hi Tim, Thank you very much for replying. I thought this was the keyword I was looking for indeed, however, it has not worked so far... :( I will write back once I find out what the problem was. Best, Almu El vie., 29 nov. 2019 a las 14:43, Tim Gruene () escribió: > Dear Almudena, > > SPOT_M

Re: [ccp4bb] 8/ 2263 spots indexed XDS

2019-11-29 Thread Kay Diederichs
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 s

Re: [ccp4bb] 8/ 2263 spots indexed XDS

2019-11-29 Thread Almudena Ponce Salvatierra
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 () 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, a

Re: [ccp4bb] 8/ 2263 spots indexed XDS

2019-11-29 Thread Tim Gruene
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 Po

[ccp4bb] AW: [EXTERNAL] [ccp4bb] 8/ 2263 spots indexed XDS

2019-11-29 Thread Schreuder, Herman /DE
: CCP4 bulletin board Im Auftrag von Almudena Ponce Salvatierra Gesendet: Freitag, 29. November 2019 12:48 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] [ccp4bb] 8/ 2263 spots indexed XDS EXTERNAL : Real sender is owner-ccp...@jiscmail.ac.uk<mailto:owner-ccp...@jiscmail.ac.uk> Dear all,

Re: [ccp4bb] 8/ 2263 spots indexed XDS

2019-11-29 Thread THOMPSON Andrew
om] 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

[ccp4bb] 8/ 2263 spots indexed XDS

2019-11-29 Thread Almudena Ponce Salvatierra
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