Getting to know iMosflm

Download Report

Transcript Getting to know iMosflm

Mosflm Progress Report
Harry Powell
MRC -LMB, Cambridge
Cosener’s House
Tuesday 18th March 2008
detectors - 1
1.
Pilatus images -
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miniCBF (“normal mode”) - okay
fullCBF - okay, but not written the same as the miniCBF
(Dectris to respond)
nonCBF (Dectris “native” format, has no useful header
information)
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to do:
obliquity correction
spatial distortion
detectors - 2
2.
Bruker detectors
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can be used after conversion with frm2frm
to do:
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two-theta arm corrections for iMosflm
1-byte per pixel format
blind region correction for phi scans using non-zero kappa
detectors - 3
3.
Mar flat panel detector (mar555)
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Can be read okay now
some issues over poor data quality (mostly seems to be
hardware related)
not a high priority - possible that even the one installed in
Lund will be returned.
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processing enhancements - 1
4.
Automated backstop masking
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discussed with François
implemented independent version based on Canny method
for circular backstops
to do:
write XML
rectangular backstops
backstop arm
general shape
infrastructure
5.
Support programming for iMosflm, training Luke
e.g. XML brought up to date, e.g. for Testgen
6.
Interface between iMosflm & ccp4i
not considered a high priority, but have discussed with Pete
Briggs and Luke. Should be straightforward to launch an
iMosflm task from ccp4i, the other way round would need
considerable thought given to the design.
7.
Two releases in this period - Mosflm versions 7.0.2 and 7.0.3
(bug fix).
et cetera - 1
8.
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Diamond related activities
visiting ~once a fortnight
helping with general data processing queries
training beamline staff in DP
discussions about image formats Pilatus 6M & 2M
MarCCD both native and CBF formats (Jun Aishima)
et cetera - 2
9.
Releases and downloads (as of 13:05, March 14th)
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ipmosflm 7.0.2 - 1076 (released 28/01/2008)
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7.0.3 - 316 (released 29/02/2008)
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iMosflm 0.6.0 - 361 (including Windows: 452)
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0.6.1 - 138 (
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203)
10. Teaching, lectures...
Lund, Hamburg, GSK, Study Weekend
11. Bug fixes, user support, etc etc...
so, what’s next?
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Backstops:
Extending to rectangular backstops & arms (+ more general
shapes).
XML for iMosflm
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Pilatus:
spatial distortion and obliquity corrections.
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Bruker:
1-byte per pixel images
tidy generalized code for multi-circle goniostats
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iMosflm & ccp4i
(Assisting in) Allowing launch of iMosflm from ccp4i
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Generating test data for autoindexing.