<div dir="ltr">Hi Georg,<div>I'm sorry for the trouble! I thought I had fixed the limitation of wavelength in autosol in March but I may have missed something! I think you are using a recent nightly build so your phenix should have whatever I did. If so, can you possibly send me the full log file and input files and I'll try it here and fix the wavelength problem?</div><div>Thanks a lot!<br>-Tom T</div><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Sun, Aug 26, 2018 at 2:42 PM, Georg Mlynek <span dir="ltr"><<a href="mailto:georg.mlynek@univie.ac.at" target="_blank">georg.mlynek@univie.ac.at</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<p>Dear Phaser Developers, we have collected data at diamond at 3A
wavelength for Ca-MAD.</p>
<p>Running autosol supplying the peak and remote dataset I get a
solution. However the resolution is too low for autobuild to be
successful.</p>
<p>Therefore I continued with MR-SAD supplying the peak
data=overall_best_refine_data.<wbr>mtz<br>
</p>
<p>This is my input mtz<br>
<img src="cid:part1.907035B0.F697883F@univie.ac.at" alt=""> </p>
<p>However get this error message:<br>
</p>
<p>Error message from Phaser: <br>
FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.<br>
Use SCATTERING to specify f' and f" for atom(s) "S" <br>
Phaser phasing did not work</p>
<p><br>
</p>
<p>Scattering factors for Ca will be f'= -6.74 f''= 6.55<br>
Using partial model pdb file as substructure:
/home/g/r/aactn1_merge/phaser_<wbr>31/aactn1_merge_phaser.1.pdb with
RMS= 0.7<br>
Data output to : AutoSol_run_32_/TEMP0/phaser_<wbr>mtz<br>
FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.<br>
Use SCATTERING to specify f' and f" for atom(s) "S" <br>
Phaser phasing did not work<br>
Analysis failed on solution evaluation<br>
<br>
<b>If I specify S as atom it continues without any problem however
I get this warning, which I don't understand scientifically.</b><br>
</p>
<p><img src="cid:part2.C32B1FB1.BAE19391@univie.ac.at" alt=""></p>
<p>The same error I get (of course) when I would like to run
PHASER-EP</p>
<p><img src="cid:part3.C2D5C101.006C7818@univie.ac.at" alt=""></p>
<p>I guess the errors are just resulting from the programs not
adjusted to the longwavelength beamline.</p>
<p>Many thanks, best regards Georg.<br>
</p>
</div>
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Unsubscribe: <a href="mailto:phenixbb-leave@phenix-online.org">phenixbb-leave@phenix-online.<wbr>org</a><br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr">Thomas C Terwilliger<div>Laboratory Fellow, Los Alamos National Laboratory</div><div>Senior Scientist, New Mexico Consortium</div><div>100 Entrada Dr, Los Alamos, NM 87544</div><div>Email: <a href="mailto:tterwilliger@newmexicoconsortium.org" target="_blank">tterwilliger@newmexicoconsortium.org</a></div><div>Tel: 505-431-0033</div><div><br></div></div></div></div></div></div></div></div>
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