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

[Georg Mlynek]

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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