Re: [ccp4bb] [xds] how to specify measuring angle

2020-10-09 Thread Johan Hattne
On 2020-10-09 01:59, Dirk Kostrewa wrote: Dear Doo Nam Kim, On 09.10.20 08:43, Doo Nam Kim wrote: Since I don't know correct value of OSCILLATION_RANGE, I just changed to the example value (0.1) from (0.89976, I know it is not a positive multiple of 0.0001, but worked for ketone data). w

Re: [ccp4bb] [xds] how to specify measuring angle

2020-10-09 Thread Jessica Bruhn
Hi Doo Nam Kim, If you do not know your OSCILLATION_RANGE, a good guess would be to take your collection angle range (-60 to +60 or 120 degrees) and divide that by the number of frames. Best, Jessica On Fri, Oct 9, 2020 at 2:00 AM Dirk Kostrewa < dirk.kostr...@lrz.uni-muenchen.de> wrote: > Dear

Re: [ccp4bb] [xds] how to specify measuring angle

2020-10-09 Thread Dirk Kostrewa
Dear Doo Nam Kim, On 09.10.20 08:43, Doo Nam Kim wrote: Since I don't know correct value of OSCILLATION_RANGE, I just changed to the example value (0.1) from (0.89976, I know it is not a positive multiple of 0.0001, but worked for ketone data). without knowing the correct value for the O

Re: [ccp4bb] [xds] how to specify measuring angle

2020-10-09 Thread Kay Diederichs
Dear Doo Nam Kim, actually the results of XDS processing are deterministic for all practical purposes (to be nitpicking, the multi-processor version xds_par may result in slighly different output each time it is run, because for a few calculations the order of operations is influenced by the o

Re: [ccp4bb] [xds] how to specify measuring angle

2020-10-08 Thread Doo Nam Kim
Once I turned off my vpn, I could download from https://data.sbgrid.org/dataset/222/ Thank you for your help. To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SU

Re: [ccp4bb] [xds] how to specify measuring angle

2020-10-08 Thread Doo Nam Kim
Thank you Tim and Kay. "the indexing procedure is independent of the starting angle of the first frame." --> I see, since XDS does indexing, I think that XDS is independent of the starting angle of the first frame "Are you possibly looking for the OSCILLATION_WIDTH=, i.e. the degree per fram

Re: [ccp4bb] [xds] how to specify measuring angle

2020-10-08 Thread Kay Diederichs
I agree with Tim that Doo Nam Kim's question appears to be directed towards the rotation per frame, which is specified in XDS.INP using OSCILLATION_RANGE= ! (not OSCILLATION_WIDTH!) please see the documentation at http://xds.mpimf-heidelberg.mpg.de/html_doc/xds_parameters.html#OSCILLATION_

Re: [ccp4bb] [xds] how to specify measuring angle

2020-10-08 Thread Tim Gruene
Dear Doo Nam Kim, the indexing procedure is independent of the starting angle of the first frame. Are you possibly looking for the OSCILLATION_WIDTH=, i.e. the degree per frame during data collection? Best regards, Tim On Thu, 8 Oct 2020 09:28:07 +0100 Doo Nam Kim <4e720d49e642-dmarc-requ..

[ccp4bb] [xds] how to specify measuring angle

2020-10-08 Thread Doo Nam Kim
I think that my microED data was measured with -60 to 60 rotation angle. However, STARTING_ANGLE= -60. in my XDS.INP resulted in ... # COORDINATES OF REC. BASIS VECTORREDUCED CELL INDICES 1 0.0020349 0.0108237 0.0096964 1.00 -0.00 -0.00 2 -0.0056895-0.0002762