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<p>Dear Tom, thanks. Yes Phenix is the latest version 1.14-3225. I
will put the data in the cloud.</p>
<p>Many thanks, br Georg.<br>
</p>
<br>
<div class="moz-cite-prefix">On 2018-08-27 02:17, Tom Terwilliger
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAG4UD=DzHxbyL3hqzm8jOQWjca-_UCaBupvvfxPEJ56s4W7vmg@mail.gmail.com">
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<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"
moz-do-not-send="true">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:part2.12448D8A.77561048@univie.ac.at"
alt="" class=""> </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:part3.C82E2A83.1C545072@univie.ac.at"
alt="" class=""></p>
<p>The same error I get (of course) when I would like to
run PHASER-EP</p>
<p><img src="cid:part4.EBCB3879.6C2E39D4@univie.ac.at"
alt="" class=""></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>
<br>
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-- <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" moz-do-not-send="true">tterwilliger@newmexicoconsortium.org</a></div>
<div>Tel: 505-431-0033</div>
<div><br>
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