That sort of thing works for me 1. Can you try running Pointless from the command line on the same file?
2. Failing that, can you send me the input file to Pointless to see why Pointless is failing Phil > On 17 Nov 2020, at 10:23, Kevin Cowtan > <00002ba34e97fcaf-dmarc-requ...@jiscmail.ac.uk> wrote: > > Hi! > > I have a student trying to run i2, and a task to import merged data from cif > which works fine for the other students is failing at the pointless step. > > The logfiles are identical up to pointless (apart from the random free-R flag > assignment), but the problem occurs in pointless. The log file output is as > follows: > > ==== Input command lines ==== > > # Task 4.3.1 pointless running pointless > # Mini-MTZ input to HKLIN: > # Data type parameter job annotation > > NAME PROJECT 2b463 CRYSTAL xtal DATASET dest > HKLIN > C:\Users\xxx\CCP4I2_PROJECTS\2b463\CCP4_JOBS\job_4\4_2b463_obsout_import_merged.mtz > HKLOUT > C:\Users\xxx\CCP4I2_PROJECTS\2b463\CCP4_JOBS\job_4\job_3\job_1\MTZUNMERGEDOUT.mtz > choose spacegroup P 61 > > ==== End of input ==== > > > ****************************************************** > * * > * POINTLESS * > * 1.12.2 * > * * > * Determine Laue group from unmerged intensities * > * Phil Evans MRC LMB, Cambridge * > * Uses cctbx routines by Ralf Grosse-Kunstleve et al.* > * * > ****************************************************** > > > **** ERROR **** > > $TEXT:Reference: $$ Please cite $$ > P.R.Evans, 'Scaling and assessment of data quality' Acta Cryst. D62, 72-82 > (2006). > <a href="http://journals.iucr.org/d/issues/2006/01/00/ba5084/index.html";> > <b>PDF</b></a> > P.R.Evans, 'An introduction to data reduction: space-group determination, > scaling and intensity statistics' Acta Cryst. D67, 282-292 (2011) > <a href="http://journals.iucr.org/d/issues/2011/04/00/ba5158/index.html";> > <b>PDF</b></a> > $$ > > > -- > Professor Kevin Cowtan > Email: kevin.cow...@york.ac.uk > Pronouns: Please use he/him or they/them when referring to me in > professional contexts > Address: York Structural Biology Laboratory, Department of Chemistry > University of York, York, YO10 5DD, UK > ORCiD: 0000-0002-0189-1437 > Web: https://www.york.ac.uk/chemistry/staff/academic/a-c/kcowtan/ > Disclaimer: http://www.york.ac.uk/docs/disclaimer/email.htm > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
