[phenixbb] phenix.xtriage says that entire res range contains anomalous signal but chart says differently?

[Francis E Reyes]

1.4-87	


FR

On Aug 11, 2009, at 8:53 AM, Peter Zwart wrote:

> 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
>>
>> _______________________________________________
>> phenixbb mailing list
>> phenixbb at phenix-online.org
>> http://www.phenix-online.org/mailman/listinfo/phenixbb
>>
>
>
>
> -- 
> -----------------------------------------------------------------
> P.H. Zwart
> Beamline Scientist
> Berkeley Center for Structural Biology
> Lawrence Berkeley National Laboratories
> 1 Cyclotron Road, Berkeley, CA-94703, USA
> Cell: 510 289 9246
> BCSB:     http://bcsb.als.lbl.gov
> PHENIX: http://www.phenix-online.org
> CCTBX:  http://cctbx.sf.net
> -----------------------------------------------------------------
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://www.phenix-online.org/mailman/listinfo/phenixbb

---------------------------------------------
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