[phenixbb] autosol: FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.

[Georg Mlynek]

Dear Tom, thanks. Yes Phenix is the latest version 1.14-3225. I will put 
the data in the cloud.

Many thanks, br Georg.


On 2018-08-27 02:17, Tom Terwilliger wrote:
> Hi Georg,
> 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?
> Thanks a lot!
> -Tom T
>
>
> On Sun, Aug 26, 2018 at 2:42 PM, Georg Mlynek 
> <georg.mlynek at univie.ac.at <mailto:georg.mlynek at univie.ac.at>> wrote:
>
>     Dear Phaser Developers, we have collected data at diamond at 3A
>     wavelength for Ca-MAD.
>
>     Running autosol supplying the peak and remote dataset I get a
>     solution. However the resolution is too low for autobuild to be
>     successful.
>
>     Therefore I continued with MR-SAD supplying the peak
>     data=overall_best_refine_data.mtz
>
>     This is my input mtz
>
>     However get this error message:
>
>     Error message from Phaser:
>     FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.
>     Use SCATTERING to specify f' and f" for atom(s) "S"
>     Phaser phasing did not work
>
>
>     Scattering factors for Ca will be f'=  -6.74 f''= 6.55
>     Using partial model pdb file as substructure:
>     /home/g/r/aactn1_merge/phaser_31/aactn1_merge_phaser.1.pdb with
>     RMS=  0.7
>     Data output to :  AutoSol_run_32_/TEMP0/phaser_mtz
>     FATAL RUNTIME ERROR :Wavelength outside range of Sasaki tables.
>     Use SCATTERING to specify f' and f" for atom(s) "S"
>     Phaser phasing did not work
>     Analysis failed on solution evaluation
>
>     *If I specify S as atom it continues without any problem however I
>     get this warning, which I don't understand scientifically.*
>
>     The same error I get (of course) when I would like to run PHASER-EP
>
>     I guess the errors are just resulting from the programs not
>     adjusted to the longwavelength beamline.
>
>     Many thanks, best regards Georg.
>
>
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>
>
> -- 
> Thomas C Terwilliger
> Laboratory Fellow, Los Alamos National Laboratory
> Senior Scientist, New Mexico Consortium
> 100 Entrada Dr, Los Alamos, NM 87544
> Email: tterwilliger at newmexicoconsortium.org 
> <mailto:tterwilliger at newmexicoconsortium.org>
> Tel: 505-431-0033
>

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