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 <https://orcid.org/0000-0002-0189-1437>
Web: https://www.york.ac.uk/chemistry/staff/academic/a-c/kcowtan/
Disclaimer: http://w <http://www.york.ac.uk/docs/disclaimer/email.htm>
ww.york.ac.uk/docs/disclaimer/email.htm
<http://www.york.ac.uk/docs/disclaimer/email.htm>
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