[phenixbb] phenix.xtriage says that entire res range contains anomalous signal but chart says differently?
Francis E Reyes
Francis.Reyes at Colorado.EDU
Tue Aug 11 07:49:48 PDT 2009
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
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