Re: [ccp4bb] XDS problem

2012-11-11 Thread Kay Diederichs
Dear Xinghua, it seems that you have hit a bug: "assert violation" indicates that an internal error has occurred, i.e. some situation was hit that the program is not prepared to handle. There must be something very special about your dataset - maybe a very small number of reflections, maybe onl

[ccp4bb] XDS problem

2012-11-10 Thread 秦兴华
Dear CCP4ers, Recently I am trying to process a dataset with XDS program, but during the intergrate and scale procedure it always ended with the following warning: !!! ERROR !!! ASSERT VIOLATION IN "RESTHKL" **

Re: [ccp4bb] xds - problem with reference profile

2012-03-08 Thread Herman . Schreuder
@JISCMAIL.AC.UK] On Behalf Of Florian Schmitzberger Sent: Thursday, March 08, 2012 3:49 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] xds - problem with reference profile Dear All, I am getting a warning

[ccp4bb] xds - problem with reference profile

2012-03-08 Thread Florian Schmitzberger
Dear All, I am getting a warning message in XDS I have not seen before, when trying to integrate a low resolution (~ 7 A) dataset. !!! WARNING !!! REFERENCE PROFILE # 1 IS EMPTY. THE AVERAGE PROFILE IN THIS BATCH IS USED INSTEAD. and so forth for the other reference profile

Re: [ccp4bb] XDS problem: REMOVE.HKL ignored?

2011-07-25 Thread Engin Özkan
Thank you, Florian! That did it. This should be included in the docs. Engin On 07/25/2011 01:23 PM, Florian Schmitzberger wrote: Hi Engin, I encountered the same issue a couple of months ago. As I understand, the REMOVE.HKL file will only be used if you specify the spacegroup and unit cell i

Re: [ccp4bb] XDS problem: REMOVE.HKL ignored?

2011-07-25 Thread Florian Schmitzberger
Hi Engin, I encountered the same issue a couple of months ago. As I understand, the REMOVE.HKL file will only be used if you specify the spacegroup and unit cell in the XDS.INP file. Cheers, Florian On Jul 25, 2011, at 1:14 PM, Engin Özkan wrote: Hi all, After about a year of not worki

[ccp4bb] XDS problem: REMOVE.HKL ignored?

2011-07-25 Thread Engin Özkan
Hi all, After about a year of not working with XDS, I was a little surprised to see that adding a REMOVE.HKL file to the current directory and running CORRECT does not remove outliers. I still see the same reflections reported at the end of my new CORRECT.LP file and I have grepped the XDS_ASCI