[phenixbb] refine

[Nora Cronin]

I'm have a problem with mtz labels

Multiple equally suitable arrays of observed xray data found.

Possible choices:
  HG_28_scala3.mtz:IMEAN_28,SIGIMEAN_28
  HG_28_scala3.mtz:I_28(+),SIGI_28(+),I_28(-),SIGI_28(-),merged

Please use refinement.input.xray_data.labels
to specify an unambiguous substring of the target label.

Sorry: Multiple equally suitable arrays of observed xray data found.

I've listed all labels

Groups of input data:  [1]

NOTE: Deleting group  1  which has no data...

closing overall log AutoSol_run_2_/AutoSol_run_2_1.log
---------------------------------------------------------------------------

List of all anomalous datasets in HG_28_scala3.mtz
'F_28(+) SIGF_28(+) F_28(-) SIGF_28(-)'
'I_28(+) SIGI_28(+) I_28(-) SIGI_28(-)'


List of all datasets in HG_28_scala3.mtz
'F_28 SIGF_28'
'F_28(+) SIGF_28(+) F_28(-) SIGF_28(-)'
'IMEAN_28 SIGIMEAN_28'
'I_28(+) SIGI_28(+) I_28(-) SIGI_28(-)'


List of all individual labels in HG_28_scala3.mtz
'FreeR_flag'
'F_28'
'SIGF_28'
'F_28(+)'
'SIGF_28(+)'
'F_28(-)'
'SIGF_28(-)'
'DANO_28'
'SIGDANO_28'
'IMEAN_28'
'SIGIMEAN_28'
'I_28(+)'
'SIGI_28(+)'
'I_28(-)'
'SIGI_28(-)'

Suggested uses:
USE:  autosol data file
labels='F_28(+) SIGF_28(+) F_28(-) SIGF_28(-)'
(program labels: ['I/F', 'sigI/sigF', 'I/F-', 'sigI/sigF-'])
(suggested list: ['F_28(+)', 'SIGF_28(+)', 'F_28(-)', 'SIGF_28(-)'])

USE:  autosol data file
labels='I_28(+) SIGI_28(+) I_28(-) SIGI_28(-)'
(program labels: ['I/F', 'sigI/sigF', 'I/F-', 'sigI/sigF-'])
(suggested list: ['I_28(+)', 'SIGI_28(+)', 'I_28(-)', 'SIGI_28(-)'])

USE:  autobuild/ligandfit/automr datafile
input_labels='F_28 SIGF_28 None None None None None None FreeR_flag'
(program labels: ['FP', 'SIGFP', 'PHIB', 'FOM', 'HLA', 'HLB', 'HLC', 'HLD', 'FreeR_flag'])
(suggested list: ['F_28', 'SIGF_28', 'None', 'None', 'None', 'None', 'None', 'None', 'FreeR_flag'])

USE:  autosol/autobuild refinement file
input_refinement_labels='F_28 SIGF_28 FreeR_flag'
(program labels: ['FP', 'SIGFP', 'FreeR_flag'])
(suggested list: ['F_28', 'SIGF_28', 'FreeR_flag'])

USE:  autobuild map file
input_map_labels='F_28 None None'
(program labels: ['FP', 'PHIB', 'FOM'])
(suggested list: ['F_28', 'None', 'None'])

USE:  automr labels to pass to autobuild
input_label_string ='F_28 SIGF_28'
(program labels: ['I/F', 'sigI/sigF'])
(suggested list: ['F_28', 'SIGF_28'])

USE:  automr labels to pass to autobuild
input_label_string ='IMEAN_28 SIGIMEAN_28'
(program labels: ['I/F', 'sigI/sigF'])
(suggested list: ['IMEAN_28', 'SIGIMEAN_28'])

No combination is accepted

Seems obvious but I can't solve it.

Thanks


Nora






On 2 Jun 2011, at 14:32, Thomas C. Terwilliger wrote:

> Hi Jianghai,
> 
> Thanks for the request!  All the phenix tools use the same
> reflection_file_reader, so each should be able to read XDS files,
> including phenix.autosol.  If that does not seem to be the case, I'll be
> happy to look into it if you can send me the first few hundred lines of a
> data file that does not work properly.
> 
> All the best,
> Tom T
> 
>>> Hi,
>>> 
>>> In the manual of version 1.7.1, I found out that only phenix.hyss can read
>>> XDS_ASCII files with merged data.  Do other phenix tools recognized
>>> XDS_ASCII files?  If not, I would like to request this feature.  For
>>> example, let phenix.autosol read XDS_ASCII file with merged or unmerged
>>> data.
>>> 
>>> Thanks.
>>> 
>>> -- Jianghai
>>> 
>>> 
>>> 
>>> 
>>> _______________________________________________
>>> phenixbb mailing list
>>> phenixbb at phenix-online.org
>>> http://phenix-online.org/mailman/listinfo/phenixbb
>>> 
> 
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb

Dr N B Cronin
X-Ray Laboratory Manager               Tel. (+44) 020 7153 5445
Section of Structural Biology             Fax. (+44) 020 7153 5457
Chester Beatty Laboratories		mobile: (+44) 07787554059
The Institute of Cancer Research     
237 Fulham Road                               
London
SW3 6JB







The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company Limited by Guarantee, Registered in England under Company No. 534147 with its Registered Office at 123 Old Brompton Road, London SW7 3RP.

This e-mail message is confidential and for use by the addressee only.  If the message is received by anyone other than the addressee, please return the message to the sender by replying to it and then delete the message from your computer and network.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20110606/01f80054/attachment-0001.htm>