<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Sena,<div><br><div>I'm sorry for the trouble! There is supposed to be an earlier error message that helps you more than that one, and it is not getting printed here.</div><div><br></div><div>Can you try these things:</div><div><br></div><div>1. What version of phenix is this (hopefully 1.5-2, if not...that is the place to start).</div><div>2. Try these commands</div><div><br></div><div>phenix.autosol show_labels= iafinal_d212121.mtz</div><div>phenix.autosol show_labels=s10final_d212121.mtz</div><div>phenix.autosol show_labels=s23final_d212121.mtz</div><div><br></div><div>3. You can then use the labels="xxxx" that are output from step 2 (see the labels for "autosol") from this as an extra line for each input file in your parameters file like this:</div><div><br></div><div><div> native {<br> data = iafinal_d212121.mtz<br></div> labels="I,SIGI"<div> }</div><div><br></div><div>Also if you want to send me directly (<a href="mailto:terwilliger@lanl.gov">terwilliger@lanl.gov</a>) these data files it may help me fix autosol so that it gives a better error message...</div><div><br></div>All the best,</div><div>Tom T</div><br><div><div>On Nov 5, 2009, at 3:43 PM, Rajagopalan, Senapathy wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div> <font face="Calibri, Verdana, Helvetica, Arial"><span style="font-size:11pt">Hi All,<br> <br> I am a new user to Phenix and am trying to process MIR datasets from a parameter file typing �phenix.autosol mir.eff� and keep running into the error message saying:<br> <br> <br> _______________<br> <i>Possible choices:<br> /Users/sena/data/crystallography/raw1025/Processing/iafinal_d212121.mtz:I,SIGI,merged<br> /Users/sena/data/crystallography/raw1025/Processing/iafinal_d212121.mtz:IPR,SIGIPR,merged<br> <br> Please use scaling.input.xray_data.obs_labels<br> to specify an unambiguous substring of the target label.<br> <br> Unable to get range of aniso B from xtriage output<br> Multiple equally suitable arrays of observed xray data found.<br> <br> ********************************************************************************<br> Failed to carry out AutoSol_scale_and_analyze_mir:<br> <br> Sorry, there is something wrong with the file /Users/sena/data/crystallography/raw1025/Processing/iafinal_d212121.mtz ... xtriage cannot analyze it?<br> </i>********************************************************************************<br> ___________________<br> <br> The �mir.eff� file contains:<br> <br> ------------------<br> # <br> autosol {<br> seq_file = sequence.dat<br> #scaling.input.xray_data.obs_labels='I SIGI'<br> # xray_data_labels = FP, SIGFP<br> # autosol.input.xray_data.labels=FP<br> labels='I SIGI'<br> crystal_info {<br> space_group = p212121<br> unit_cell = 49.020 73.140 187.350 90.000 90.000 90.00<br> }<br> native {<br> data = iafinal_d212121.mtz<br> }<br> deriv {<br> data = s10final_d212121.mtz<br> atom_type = I <br> sites = 2<br> inano = noinano *inano anoonly<br> }<br> deriv {<br> data = s13final_d212121.mtz<br> atom_type = I <br> sites = 1<br> inano = noinano *inano anoonly<br> }<br> deriv {<br> data = s23final_d212121.mtz<br> atom_type = I <br> sites = 1<br> inano = noinano *inano anoonly<br> }<br> }<br> -----------------<br> <br> I guess the error comes because the program is not able to make a choice as to which columns to take from the mtz file. But no matter what �label� syntax I use or where I use it, it doesn�t seem to help. Obviously, I am missing something here. So could someone please help me with this. Also, I tried the same thing using the phenix wizard and it still gives me the same error.<br> <br> Thanks<br> Sena</span></font> <br clear="all"><div><br class="webkit-block-placeholder"></div><hr size="1"><div><br class="webkit-block-placeholder"></div><p><br> <font face="Times New Roman">Methodist. 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Any review, use, distribution or disclosure by others is strictly prohibited. If you are not the intended recipient (or authorized to receive for the recipient), please contact the sender and delete all copies of the message. Thank you. </font></p><div><br class="webkit-block-placeholder"></div> </div> _______________________________________________<br>phenixbb mailing list<br><a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br>http://www.phenix-online.org/mailman/listinfo/phenixbb<br></blockquote></div><br><div apple-content-edited="true"> <span class="Apple-style-span" style="font-size: 12px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div><div><div><div><br>Thomas C. Terwilliger<br>Mail Stop M888<br>Los Alamos National Laboratory<br>Los Alamos, NM 87545<br><br>Tel: 505-667-0072 email: <a href="mailto:terwilliger@LANL.gov">terwilliger@LANL.gov</a><br>Fax: 505-665-3024 SOLVE web site: <a href="http://solve.lanl.gov">http://solve.lanl.gov</a><br>PHENIX web site: http:<a href="http://www.phenix-online.org">www.phenix-online.org</a><br>ISFI Integrated Center for Structure and Function Innovation web site: <a href="http://techcenter.mbi.ucla.edu">http://techcenter.mbi.ucla.edu</a><br>TB Structural Genomics Consortium web site: <a href="http://www.doe-mbi.ucla.edu/TB">http://www.doe-mbi.ucla.edu/TB</a></div><div>CBSS Center for Bio-Security Science web site: <a href="http://www.lanl.gov/cbss">http://www.lanl.gov/cbss</a><br><br></div></div></div></div><br></div></div></span><br class="Apple-interchange-newline"> </div><br></div></body></html>