[phenixbb] Scale and merge multiple data sets

Tanner, John J. TannerJJ at missouri.edu
Wed May 4 06:40:16 PDT 2016


If you used XDS to process the data, XSCALE is a good program for merging.  It lets you specify the resolution ranges for merging.  The output file goes directly into aimless for merging and conversion to F. The script is simple, such as

[tanner at eris ~]> cat */XSCALE.INP
OUTPUT_FILE=XDS_ASCII.HKL
   INPUT_FILE= ../XDS_ASCII.HKL
     INCLUDE_RESOLUTION_RANGE= 66.0 2.0
   INPUT_FILE= ../../x-xx/XDS_ASCII.HKL
     INCLUDE_RESOLUTION_RANGE= 66 2.7
[tanner at eris ~]>


On May 4, 2016, at 6:00 AM, Sam Tang wrote:

Dear colleagues

Hello again.

I would like to scale and merge two different native datasets for a same protein complex (which semed to die off gradually in the beam) using the scale_and_merge tool. The error message was received

"Multiple intensity arrays - please specify one: data_labels=I,SIGI data_labels=IPR,SIGPR"

However I looked into the log file and I have actually included "data_labels = "IPR,SIGIPR,merged" . Perhaps I have missed something else in the setting?

Regards

Sam

Sam Tang

Biochemistry Programme, School of Life Sciences, CUHK

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