Well - doing an mtzdump on testXXX.mtz shows most of the DANO are missing..
and also most of the F_gp5-gp27(+)_nat so the problem is farther back..
OVERALL FILE STATISTICS for resolution range 0.000 - 0.119
=======================
Col Sort Min Max Num % Mean Mean Resolution
Type Column
num order Missing complete abs. Low
High label
1 ASC 0 41 0 100.00 19.7 19.7 127.21 2.89
H H
2 NONE 0 24 0 100.00 6.9 6.9 127.21 2.89
H K
3 NONE -131 131 0 100.00 1.5 49.7 127.21 2.89
H L
4 NONE 0.0 19.0 5 99.98 9.48 9.48 64.49 2.89
I FreeR_flag
.....
16 NONE 8.5 4494.8 29499 8.34 895.29 895.29 74.82 2.89
G F_gp5-gp27(+)_nat
17 NONE 6.0 162.8 29499 8.34 37.83 37.83 74.82 2.89
L SIGF_gp5-gp27(+)_nat
18 NONE 8.5 4681.4 353 98.90 812.18 812.18 74.82 2.89
G F_gp5-gp27(-)_nat
19 NONE 5.8 162.8 353 98.90 25.89 25.89 74.82 2.89
L SIGF_gp5-gp27(-)_nat
20 BOTH 0.0 0.0 29499 8.34 0.00 0.00 74.82 2.89
D DANO_gp5-gp27_nat
21 BOTH 0.0 0.0 29499 8.34 0.00 0.00 74.82 2.89
Q SIGDANO_gp5-gp27_nat
The cad log file looks OK so you need to go back to the scala step and
see how this happened.Maybe you didnt measure enough equivalent
observations to get a DANO set?
Eleanor
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.
>
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