<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi Francis,<div><br></div><div>You can say:</div><div><br></div><div>phenix.autosol native.data=native.sca deriv.data=deriv.sca</div><div><br></div><div> and wait a couple minutes until it has scaled the data (once it says "RUNNING HYSS" you are far enough) </div><div>and then have a look at </div><div><br></div><div>AutoSol_run_1_/TEMP0/dataset_1_scale.log</div><div><br></div><div>which will say near the end..</div><div><br></div><div><br></div><div><div> isomorphous differences derivs 1 - native</div><div><br></div><div><br></div><div> Differences by shell:</div><div><br></div><div> shell dmin nobs Fbar R scale SIGNAL NOISE S/N</div><div><br></div><div> 1 5.000 137 29.235 0.007 1.000 0.00 0.46 0.00</div><div> 2 3.750 201 20.277 0.011 1.000 0.09 0.31 0.31</div><div> 3 3.500 69 16.565 0.010 1.000 0.00 0.25 0.00</div><div> 4 3.312 80 14.804 0.009 1.000 0.00 0.23 0.00</div><div> 5 3.125 78 14.174 0.008 1.000 0.00 0.23 0.00</div><div> 6 3.000 81 12.567 0.010 1.000 0.00 0.20 0.00</div><div> 7 2.875 88 12.677 0.009 1.000 0.00 0.19 0.00</div><div> 8 2.750 94 11.249 0.012 1.000 0.09 0.18 0.47</div><div> 9 2.625 136 11.555 0.011 1.000 0.00 0.19 0.00</div><div> 10 2.500 126 9.975 0.011 1.000 0.00 0.17 0.00</div><div><br></div><div> Total: 1090 16.085 0.010 1.000 0.00 0.27 0.10</div><div><br></div><div>(which in this particular case are not useful!)</div><div>Here R is <Fderiv-Fnative>/(2 <Fderiv+Fnative>), noise is <sigma>, </div><div>signal is sqrt(<(Fderiv-Fnative)**2>-<sigma**2>), and S/N is the ratio of signal to noise.</div><div><br></div><div>All the best,</div><div>Tom T</div><div><br></div></div><div><br><div><div>On Aug 12, 2009, at 11:47 AM, Peter Zwart wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>I suggest using some phenix.solve utilities.<br><br>xtriage isn't geared towards isomorphous diferences.<br><br>Cheers<br><br>Peter<br><br>2009/8/12, Francis E Reyes <<a href="mailto:Francis.Reyes@colorado.edu">Francis.Reyes@colorado.edu</a>>:<br><blockquote type="cite">Hi all<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"> I love the fact that xtriage can measure anomalous signal, but can it<br></blockquote><blockquote type="cite"> also do a quick check for isomorphous differences (with and without<br></blockquote><blockquote type="cite"> anomalous signal) similar to scalepack? Is there a phenix utility that<br></blockquote><blockquote type="cite"> can do this?<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"> Thanks<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"> FR<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"> ---------------------------------------------<br></blockquote><blockquote type="cite"> Francis Reyes M.Sc.<br></blockquote><blockquote type="cite"> 215 UCB<br></blockquote><blockquote type="cite"> University of Colorado at Boulder<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"> 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite"> _______________________________________________<br></blockquote><blockquote type="cite"> phenixbb mailing list<br></blockquote><blockquote type="cite"> <a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br></blockquote><blockquote type="cite"> <a href="http://www.phenix-online.org/mailman/listinfo/phenixbb">http://www.phenix-online.org/mailman/listinfo/phenixbb</a><br></blockquote><blockquote type="cite"><br></blockquote><br><br>-- <br>-----------------------------------------------------------------<br>P.H. Zwart<br>Beamline Scientist<br>Berkeley Center for Structural Biology<br>Lawrence Berkeley National Laboratories<br>1 Cyclotron Road, Berkeley, CA-94703, USA<br>Cell: 510 289 9246<br>BCSB: <a href="http://bcsb.als.lbl.gov">http://bcsb.als.lbl.gov</a><br>PHENIX: <a href="http://www.phenix-online.org">http://www.phenix-online.org</a><br>CCTBX: <a href="http://cctbx.sf.net">http://cctbx.sf.net</a><br>-----------------------------------------------------------------<br>_______________________________________________<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></div></blockquote></div><br><div apple-content-edited="true"> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; 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: 0; "><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>