Hi, you can try it in PHENIX:
- phenix.refine outputs such map by default (if input data file contains Fobs+ and Fobs-);
- you can use a Create Maps option from main PHENIX GUI. Pavel. On 10/26/09 11:10 AM, Sergii Buth wrote:
Hello everybody! I am faced with a problem of calculating an anomalous map from a Se-Met dataset, and I cannot interpret the error message. So, detailed problem description: I was given a Se-Met dataset of my protein. I scaled it in Scala and made .mtz file, but I do not phases. And I cannot do a MR, but I have a coordinate file. This is my situation So, what I did. I made a copy of .mtz and did a refinement in refmac - to generate phases. During that I lost all anomalous data. After I did CAD procedure - I took from original .mtz anomalous data (F(+), F(-), DANO, IMEAN, I(+), I(-), with sigmas) and from refined mtz - H K L FreeR_flag, F, SIGF, FC, PHIC, FC_ALL, PHIC_ALL, FWT, PHWT, DELFWT, PHDELWT, FOM. And then I did anomalous FFT in the fields I put: PHI - PHIC Weight - FOM DANO - DANO Sigma - SIGDANO I tried with and without excluding of R-free, but result was the same - "FAILED"... And error message was "FFTBIG: No reflexions pass acceptance criteria! Check RESOLUTION, EXCLUDE, missing data." And I cannot find how to fix this. It have also one more warning message - * Missing value set to NaN in input mtz file but as I read it is not a problem - mtz is still readable. I would be glad for any help or advice. Thanks. Sergii P.S. Please, find attached mtz and logs.
