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Re: [ccp4bb]: structure factors etc
Would it not be a good idea to at least publish/present a Wilson plot
(for insdtance in the pdb header or so) ?
That allready can give some evidence on the data quality,
For instance, after looking at the attached wilson plot with downloaded
data, i knew that something weerd was going on with the data.
Eleanor J. Dodson wrote:
>*** For details on how to be removed from this list visit the ***
>*** CCP4 home page http://www.ccp4.ac.uk ***
>
>wgscott@chemistry.ucsc.edu wrote:
>
>
>>*** For details on how to be removed from this list visit the ***
>>*** CCP4 home page http://www.ccp4.ac.uk ***
>>
>>
>>
>>>The structure factors are essential to let other people judge for
>>>themselves
>>>the result you obtained.
>>>
>>>
>>>
>>My guess is that if people understood there were many other (more
>>positive) reasons, in addition to double-checking the veracity of a
>>structure, that Fobs
>>should be made public, they would probably be more likely to comply.
>>
>>
>>
>
>
> Maybe this is naive, but if you publish arent you prepared to display
>the experiment? If you really think that someone else will not agree
>with your interpretation, and you are not prepared to provide your
>evidence, should your publication have any significance whatsoever?
>Maybe there ought to be a impact factor of 0.000 for any such document?
>
>
> There are already guidelines for time lags - you can put your data on
>hold while you examine mutants etc..
>
>
> Eleanor
>
>
$TABLE: Wilson plot statistics - credits to Sasha Popov, EMBL Hamburg :
$GRAPHS: Log<Intensity> vrs Resolution :A:3,4,5:
: ChiSquare vrs Resolution :N:3,6:
: Iobs/Iexp ratio vrs Resolution :N:3,7:
$$
Dmin Dmax 1/resol^2 Log<Iexp> Log<Iobs> ChiSq Iobs/Iexp Comment
$$
(A) (A) (A^(-2) (expected (observed
intensity) intensity)
$$
10.54 8.74 0.0110 11.53 10.25 580.63 0.28 <===Problems
8.74 7.63 0.0151 11.31 10.28 549.90 0.36 <===Problems
7.63 6.86 0.0192 11.06 10.29 362.82 0.47 <===Problems
6.86 6.28 0.0233 10.97 10.40 188.08 0.57 <===Problems
6.28 5.83 0.0274 11.03 10.54 144.23 0.61 <===Problems
5.83 5.46 0.0315 11.19 10.62 218.89 0.56 <===Problems
5.46 5.15 0.0356 11.41 10.80 318.62 0.54 <===Problems
5.15 4.89 0.0397 11.61 10.85 521.28 0.47 <===Problems
4.89 4.67 0.0438 11.75 10.92 543.90 0.43 <===Problems
4.67 4.48 0.0479 11.83 10.99 590.15 0.43 <===Problems
4.48 4.30 0.0520 11.85 11.14 450.04 0.49 <===Problems
4.30 4.15 0.0561 11.83 11.13 560.97 0.50 <===Problems
4.15 4.01 0.0601 11.80 11.11 554.01 0.50 <===Problems
4.01 3.88 0.0642 11.77 11.23 286.27 0.58 <===Problems
3.88 3.77 0.0683 11.74 11.26 230.74 0.62 <===Problems
3.77 3.66 0.0724 11.70 11.28 179.81 0.65 <===Problems
3.66 3.57 0.0765 11.66 11.32 114.70 0.71 <===Problems
3.57 3.48 0.0806 11.62 11.39 48.61 0.80 <===Problems
3.48 3.40 0.0847 11.56 11.37 29.34 0.83 <===Problems
3.40 3.32 0.0888 11.49 11.39 8.77 0.91 <===Problems
3.32 3.25 0.0929 11.41 11.36 2.00 0.95 .
3.25 3.18 0.0970 11.33 11.36 0.89 1.03 .
3.18 3.11 0.1011 11.27 11.36 6.59 1.10 .
3.11 3.05 0.1052 11.20 11.37 22.60 1.18 <===Problems
3.05 3.00 0.1093 11.15 11.33 22.87 1.20 <===Problems
3.00 2.94 0.1133 11.09 11.30 35.49 1.23 <===Problems
2.94 2.89 0.1174 11.03 11.30 49.80 1.31 <===Problems
2.89 2.84 0.1215 10.98 11.26 53.52 1.32 <===Problems
2.84 2.80 0.1256 10.93 11.24 71.65 1.36 <===Problems
2.80 2.75 0.1297 10.89 11.22 75.78 1.40 <===Problems
2.75 2.71 0.1338 10.86 11.17 68.37 1.36 <===Problems
2.71 2.67 0.1379 10.84 11.10 48.03 1.29 <===Problems
2.67 2.63 0.1420 10.82 11.04 35.52 1.24 <===Problems
2.63 2.60 0.1461 10.81 11.04 38.23 1.26 <===Problems
2.60 2.56 0.1502 10.78 11.05 55.35 1.31 <===Problems
2.56 2.53 0.1543 10.76 11.01 44.79 1.28 <===Problems
2.53 2.50 0.1584 10.75 11.00 43.69 1.28 <===Problems
2.50 2.47 0.1625 10.75 11.01 45.86 1.31 <===Problems
2.47 2.44 0.1665 10.73 10.96 39.39 1.26 <===Problems
2.44 2.41 0.1706 10.74 10.98 43.08 1.27 <===Problems
2.41 2.38 0.1747 10.73 11.01 48.84 1.31 <===Problems
2.38 2.35 0.1788 10.74 10.96 38.01 1.25 <===Problems
2.35 2.33 0.1829 10.73 10.95 34.27 1.24 <===Problems
2.33 2.30 0.1870 10.74 10.94 31.01 1.23 <===Problems
2.30 2.28 0.1911 10.74 10.95 32.87 1.23 <===Problems
2.28 2.25 0.1952 10.74 10.94 28.36 1.21 <===Problems
2.25 2.23 0.1993 10.73 11.00 56.75 1.31 <===Problems
2.23 2.21 0.2034 10.73 11.01 55.06 1.32 <===Problems
2.21 2.18 0.2075 10.72 10.96 47.46 1.28 <===Problems
2.18 2.16 0.2116 10.70 10.86 23.39 1.17 <===Problems
2.16 2.14 0.2156 10.68 10.86 27.63 1.20 <===Problems
2.14 2.12 0.2197 10.68 10.84 21.74 1.18 <===Problems
2.12 2.10 0.2238 10.68 10.83 18.71 1.16 <===Problems
2.10 2.09 0.2279 10.66 10.79 15.85 1.14 <===Problems
2.09 2.07 0.2320 10.62 10.80 27.06 1.19 <===Problems
2.07 2.05 0.2361 10.59 10.70 10.25 1.11 <===Problems
2.05 2.03 0.2402 10.57 10.71 16.93 1.15 <===Problems
2.03 2.01 0.2443 10.55 10.67 13.39 1.13 <===Problems
2.01 2.00 0.2484 10.51 10.64 14.76 1.14 <===Problems
2.00 1.98 0.2525 10.48 10.69 35.48 1.23 <===Problems
1.98 1.97 0.2566 10.44 10.65 37.41 1.24 <===Problems
1.97 1.95 0.2607 10.40 10.54 17.13 1.15 <===Problems
1.95 1.94 0.2648 10.36 10.54 24.11 1.19 <===Problems
1.94 1.92 0.2688 10.32 10.54 38.30 1.25 <===Problems
1.92 1.91 0.2729 10.28 10.47 30.71 1.21 <===Problems
1.91 1.89 0.2770 10.24 10.37 12.92 1.14 <===Problems
1.89 1.88 0.2811 10.22 10.39 23.00 1.19 <===Problems
1.88 1.87 0.2852 10.18 10.31 15.79 1.15 <===Problems
1.87 1.85 0.2893 10.14 10.28 17.02 1.15 <===Problems
1.85 1.84 0.2934 10.10 10.30 34.02 1.22 <===Problems
1.84 1.83 0.2975 10.07 10.21 19.21 1.15 <===Problems
1.83 1.81 0.3016 10.03 10.16 12.46 1.13 <===Problems
1.81 1.80 0.3057 10.01 10.11 11.44 1.11 <===Problems
1.80 1.79 0.3098 9.98 10.15 21.53 1.18 <===Problems
1.79 1.78 0.3139 9.96 10.12 21.44 1.17 <===Problems
1.78 1.77 0.3179 9.94 10.06 12.83 1.13 <===Problems
1.77 1.76 0.3220 9.92 10.03 11.24 1.12 <===Problems
1.76 1.75 0.3261 9.91 10.05 19.03 1.15 <===Problems
1.75 1.73 0.3302 9.90 9.99 7.39 1.09 .
1.73 1.72 0.3343 9.88 9.93 2.37 1.05 .
1.72 1.71 0.3384 9.86 9.94 4.95 1.08 .
1.71 1.70 0.3425 9.85 9.94 8.25 1.10 .
1.70 1.69 0.3466 9.83 9.98 22.75 1.17 <===Problems
1.69 1.68 0.3507 9.80 9.92 13.79 1.13 <===Problems
1.68 1.67 0.3548 9.80 9.92 13.85 1.13 <===Problems
1.67 1.66 0.3589 9.79 9.88 7.50 1.09 .
1.66 1.66 0.3630 9.79 9.88 7.15 1.09 .
1.66 1.65 0.3670 9.79 9.84 3.07 1.06 .
1.65 1.64 0.3711 9.78 9.85 5.31 1.08 .
1.64 1.63 0.3752 9.78 9.83 3.72 1.06 .
1.63 1.62 0.3793 9.76 9.80 2.00 1.04 .
1.62 1.61 0.3834 9.75 9.79 1.92 1.05 .
1.61 1.60 0.3875 9.74 9.76 0.79 1.03 .
1.60 1.59 0.3916 9.73 9.78 2.18 1.05 .
1.59 1.59 0.3957 9.72 9.74 0.43 1.02 .
1.59 1.58 0.3998 9.71 9.73 0.72 1.03 .
1.58 1.57 0.4039 9.71 9.73 0.76 1.03 .
1.57 1.56 0.4080 9.70 9.73 0.72 1.03 .
1.56 1.55 0.4121 9.70 9.70 0.03 1.01 .
1.55 1.55 0.4162 9.68 9.71 0.86 1.03 .
1.55 1.54 0.4202 9.67 9.66 0.12 0.99 .
1.54 1.53 0.4243 9.65 9.65 0.04 0.99 .
1.53 1.52 0.4284 9.65 9.67 0.16 1.01 .
1.52 1.52 0.4325 9.65 9.64 0.09 0.99 .
1.52 1.51 0.4366 9.65 9.60 1.78 0.96 .
1.51 1.50 0.4407 9.64 9.58 2.97 0.95 .
1.50 1.50 0.4448 9.62 9.59 0.82 0.97 .
1.50 1.49 0.4489 9.60 9.55 2.21 0.95 .
1.49 1.48 0.4530 9.58 9.54 1.43 0.96 .
1.48 1.48 0.4571 9.58 9.52 3.71 0.94 .
1.48 1.47 0.4612 9.56 9.50 3.60 0.94 .
1.47 1.46 0.4653 9.55 9.46 8.98 0.91 <===Problems
1.46 1.46 0.4693 9.54 9.45 8.12 0.91 .
1.46 1.45 0.4734 9.53 9.44 6.87 0.92 .
1.45 1.44 0.4775 9.52 9.40 14.52 0.88 <===Problems
1.44 1.44 0.4816 9.51 9.36 23.97 0.86 <===Problems
1.44 1.43 0.4857 9.50 9.32 33.37 0.84 <===Problems
1.43 1.43 0.4898 9.48 9.29 41.04 0.83 <===Problems
1.43 1.42 0.4939 9.48 9.29 40.03 0.83 <===Problems
1.42 1.41 0.4980 9.48 9.29 37.48 0.82 <===Problems
1.41 1.41 0.5021 9.49 9.29 45.37 0.82 <===Problems
1.41 1.40 0.5062 9.48 9.28 41.77 0.82 <===Problems
1.40 1.40 0.5103 9.48 9.27 48.40 0.81 <===Problems
1.40 1.39 0.5144 9.47 9.18 95.70 0.74 <===Problems
1.39 1.39 0.5185 9.47 9.16 100.35 0.73 <===Problems
1.39 1.38 0.5225 9.46 9.22 61.34 0.78 <===Problems
1.38 1.38 0.5266 9.47 9.21 77.02 0.77 <===Problems
1.38 1.37 0.5307 9.47 9.19 78.83 0.75 <===Problems
1.37 1.36 0.5348 9.47 9.22 63.28 0.78 <===Problems
1.36 1.36 0.5389 9.46 9.10 139.34 0.70 <===Problems
1.36 1.35 0.5430 9.47 8.98 106.50 0.61 <===Problems
$$
PoorAllData
WARNING ! The data are poor. Discard ALL data !