<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">I'm have a problem with mtz labels<div><br></div><div><div><div><font class="Apple-style-span" color="#5941FF">Multiple equally suitable arrays of observed xray data found.</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">Possible choices:</font></div><div><font class="Apple-style-span" color="#5941FF"> HG_28_scala3.mtz:IMEAN_28,SIGIMEAN_28</font></div><div><font class="Apple-style-span" color="#5941FF"> HG_28_scala3.mtz:I_28(+),SIGI_28(+),I_28(-),SIGI_28(-),merged</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">Please use refinement.input.xray_data.labels</font></div><div><font class="Apple-style-span" color="#5941FF">to specify an unambiguous substring of the target label.</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">Sorry: Multiple equally suitable arrays of observed xray data found.</font></div><div><br></div><div>I've listed all labels</div><div><br></div><div><div><font class="Apple-style-span" color="#5941FF">Groups of input data: [1]</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">NOTE: Deleting group 1 which has no data...</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">closing overall log AutoSol_run_2_/AutoSol_run_2_1.log</font></div><div><font class="Apple-style-span" color="#5941FF">---------------------------------------------------------------------------</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">List of all anomalous datasets in HG_28_scala3.mtz</font></div><div><font class="Apple-style-span" color="#5941FF">'F_28(+) SIGF_28(+) F_28(-) SIGF_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF">'I_28(+) SIGI_28(+) I_28(-) SIGI_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">List of all datasets in HG_28_scala3.mtz</font></div><div><font class="Apple-style-span" color="#5941FF">'F_28 SIGF_28'</font></div><div><font class="Apple-style-span" color="#5941FF">'F_28(+) SIGF_28(+) F_28(-) SIGF_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF">'IMEAN_28 SIGIMEAN_28'</font></div><div><font class="Apple-style-span" color="#5941FF">'I_28(+) SIGI_28(+) I_28(-) SIGI_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">List of all individual labels in HG_28_scala3.mtz</font></div><div><font class="Apple-style-span" color="#5941FF">'FreeR_flag'</font></div><div><font class="Apple-style-span" color="#5941FF">'F_28'</font></div><div><font class="Apple-style-span" color="#5941FF">'SIGF_28'</font></div><div><font class="Apple-style-span" color="#5941FF">'F_28(+)'</font></div><div><font class="Apple-style-span" color="#5941FF">'SIGF_28(+)'</font></div><div><font class="Apple-style-span" color="#5941FF">'F_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF">'SIGF_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF">'DANO_28'</font></div><div><font class="Apple-style-span" color="#5941FF">'SIGDANO_28'</font></div><div><font class="Apple-style-span" color="#5941FF">'IMEAN_28'</font></div><div><font class="Apple-style-span" color="#5941FF">'SIGIMEAN_28'</font></div><div><font class="Apple-style-span" color="#5941FF">'I_28(+)'</font></div><div><font class="Apple-style-span" color="#5941FF">'SIGI_28(+)'</font></div><div><font class="Apple-style-span" color="#5941FF">'I_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF">'SIGI_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">Suggested uses:</font></div><div><font class="Apple-style-span" color="#5941FF">USE: autosol data file</font></div><div><font class="Apple-style-span" color="#5941FF">labels='F_28(+) SIGF_28(+) F_28(-) SIGF_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF">(program labels: ['I/F', 'sigI/sigF', 'I/F-', 'sigI/sigF-'])</font></div><div><font class="Apple-style-span" color="#5941FF">(suggested list: ['F_28(+)', 'SIGF_28(+)', 'F_28(-)', 'SIGF_28(-)'])</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">USE: autosol data file</font></div><div><font class="Apple-style-span" color="#5941FF">labels='I_28(+) SIGI_28(+) I_28(-) SIGI_28(-)'</font></div><div><font class="Apple-style-span" color="#5941FF">(program labels: ['I/F', 'sigI/sigF', 'I/F-', 'sigI/sigF-'])</font></div><div><font class="Apple-style-span" color="#5941FF">(suggested list: ['I_28(+)', 'SIGI_28(+)', 'I_28(-)', 'SIGI_28(-)'])</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">USE: autobuild/ligandfit/automr datafile</font></div><div><font class="Apple-style-span" color="#5941FF">input_labels='F_28 SIGF_28 None None None None None None FreeR_flag'</font></div><div><font class="Apple-style-span" color="#5941FF">(program labels: ['FP', 'SIGFP', 'PHIB', 'FOM', 'HLA', 'HLB', 'HLC', 'HLD', 'FreeR_flag'])</font></div><div><font class="Apple-style-span" color="#5941FF">(suggested list: ['F_28', 'SIGF_28', 'None', 'None', 'None', 'None', 'None', 'None', 'FreeR_flag'])</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">USE: autosol/autobuild refinement file</font></div><div><font class="Apple-style-span" color="#5941FF">input_refinement_labels='F_28 SIGF_28 FreeR_flag'</font></div><div><font class="Apple-style-span" color="#5941FF">(program labels: ['FP', 'SIGFP', 'FreeR_flag'])</font></div><div><font class="Apple-style-span" color="#5941FF">(suggested list: ['F_28', 'SIGF_28', 'FreeR_flag'])</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">USE: autobuild map file</font></div><div><font class="Apple-style-span" color="#5941FF">input_map_labels='F_28 None None'</font></div><div><font class="Apple-style-span" color="#5941FF">(program labels: ['FP', 'PHIB', 'FOM'])</font></div><div><font class="Apple-style-span" color="#5941FF">(suggested list: ['F_28', 'None', 'None'])</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">USE: automr labels to pass to autobuild</font></div><div><font class="Apple-style-span" color="#5941FF">input_label_string ='F_28 SIGF_28'</font></div><div><font class="Apple-style-span" color="#5941FF">(program labels: ['I/F', 'sigI/sigF'])</font></div><div><font class="Apple-style-span" color="#5941FF">(suggested list: ['F_28', 'SIGF_28'])</font></div><div><font class="Apple-style-span" color="#5941FF"><br></font></div><div><font class="Apple-style-span" color="#5941FF">USE: automr labels to pass to autobuild</font></div><div><font class="Apple-style-span" color="#5941FF">input_label_string ='IMEAN_28 SIGIMEAN_28'</font></div><div><font class="Apple-style-span" color="#5941FF">(program labels: ['I/F', 'sigI/sigF'])</font></div><div><font class="Apple-style-span" color="#5941FF">(suggested list: ['IMEAN_28', 'SIGIMEAN_28'])</font></div><div><br></div></div><div>No combination is accepted</div><div><br></div><div>Seems obvious but I can't solve it.</div><div><br></div><div>Thanks</div><div><br></div><div><br></div><div>Nora</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div>On 2 Jun 2011, at 14:32, Thomas C. Terwilliger wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Hi Jianghai,<br><br>Thanks for the request! All the phenix tools use the same<br>reflection_file_reader, so each should be able to read XDS files,<br>including phenix.autosol. If that does not seem to be the case, I'll be<br>happy to look into it if you can send me the first few hundred lines of a<br>data file that does not work properly.<br><br>All the best,<br>Tom T<br><br><blockquote type="cite"><blockquote type="cite">Hi,<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">In the manual of version 1.7.1, I found out that only phenix.hyss can read<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">XDS_ASCII files with merged data. Do other phenix tools recognized<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">XDS_ASCII files? If not, I would like to request this feature. For<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">example, let phenix.autosol read XDS_ASCII file with merged or unmerged<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">data.<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">Thanks.<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">-- Jianghai<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">_______________________________________________<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite">phenixbb mailing list<br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><a href="http://phenix-online.org/mailman/listinfo/phenixbb">http://phenix-online.org/mailman/listinfo/phenixbb</a><br></blockquote></blockquote><blockquote type="cite"><blockquote type="cite"><br></blockquote></blockquote><br>_______________________________________________<br>phenixbb mailing list<br><a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br>http://phenix-online.org/mailman/listinfo/phenixbb<br></div></blockquote></div><br><div>
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div><span class="Apple-style-span" style="font-size: 12px; ">Dr N B Cronin</span></div><div><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><span class="Apple-style-span" style="font-size: 12px; ">X-Ray Laboratory Manager Tel. (+44) 020 7153 5445</span></div><div><span class="Apple-style-span" style="font-size: 12px; ">Section of Structural Biology Fax. (+44) 020 7153 5457</span></div><div><span class="Apple-style-span" style="font-size: 12px; ">Chester Beatty Laboratories<span class="Apple-tab-span" style="white-space: pre; "> </span>mobile: (+44) 07787554059</span></div><div><span class="Apple-style-span" style="font-size: 12px; ">The Institute of Cancer Research </span></div><div><span class="Apple-style-span" style="font-size: 12px; "><a href="mailto:Mark.Roe@icr.ac.uk"></a>237 Fulham Road </span></div><div><span class="Apple-style-span" style="font-size: 12px; "><a href="http://www.icr.ac.uk/structbi"></a>London</span></div><div><span class="Apple-style-span" style="font-size: 12px; ">SW3 6JB</span></div><div><span class="Apple-style-span" style="font-size: 12px; "><br></span></div></div></span></div></div></div><div><br></div></div><br class="Apple-interchange-newline"></div><br class="Apple-interchange-newline"><br class="Apple-interchange-newline">
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