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

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