[phenixbb] phenix.xtriage says that entire res range contains anomalous signal but chart says differently?
Peter Zwart
phzwart at gmail.com
Tue Aug 11 07:53:31 PDT 2009
which version are you using?
P
2009/8/11 Francis E Reyes <Francis.Reyes at colorado.edu>:
> Hi all
>
>
> I ran xtriage on my dataset to 4.5.here's the relevant section
> pertaining to anomalous signal
>
> Analyses of anomalous differences
>
> Table of measurability as a function of resolution
>
> The measurability is defined as the fraction of
> Bijvoet related intensity differences for which
> |delta_I|/sigma_delta_I > 3.0
> min[I(+)/sigma_I(+), I(-)/sigma_I(-)] > 3.0
> holds.
> The measurability provides an intuitive feeling
> of the quality of the data, as it is related to the
> number of reliable Bijvoet differences.
> When the data are processed properly and the standard
> deviations have been estimated accurately, values larger
> than 0.05 are encouraging.
> Note that this analyses relies on the correctness of the estimated
> standard deviations of the intensities.
>
>
> unused: - 90.6596 [ 0/1 ]
> bin 1: 90.6596 - 9.2614 [1371/1382] 0.0375
> bin 2: 9.2614 - 7.3520 [1369/1376] 0.0033
> bin 3: 7.3520 - 6.4230 [1380/1388] 0.0000
> bin 4: 6.4230 - 5.8358 [1353/1359] 0.0016
> bin 5: 5.8358 - 5.4176 [1367/1371] 0.0000
> bin 6: 5.4176 - 5.0982 [1361/1369] 0.0000
> bin 7: 5.0982 - 4.8429 [1378/1382] 0.0000
> bin 8: 4.8429 - 4.6321 [1351/1359] 0.0000
> bin 9: 4.6321 - 4.4538 [1383/1389] 0.0000
> bin 10: 4.4538 - 4.3001 [1390/1393] 0.0000
> unused: 4.3001 - [ 0/0 ]
>
> The full resolution range seems to contain a useful
> ammount of anomalous signal. Depending on your
> specific substructure, you could use all the data available
> for the location of the heavy atoms, or cut the resolution
> to speed up the search.
>
>
> If values larger than 0.05 are encouraging why is it telling me that
> the entire resolution contains a useful amount of anomalous signal?
> Did I process this incorrectly?
>
>
> Thanks
>
> FR
>
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>
> 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
>
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P.H. Zwart
Beamline Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
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Cell: 510 289 9246
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