[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
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