In ccp4i Scala task, click to open the "Excluded data" panel, click on
"Exclude selected batches"
There you can define one or more ranges of batches or lists to exclude
If you just want to exclude the last part you can define a range eg
301 to 999
You don't need to explicitly define runs
Phil
On 14 Mar 2008, at 18:57, hari jayaram wrote:
> Hi I am trying to exclude a bad wedge of data during scaling in
> scala in the newest ccp4
>
> ( fink install this morning from W.G Scotts sage.ucsc Binaries ..so
> they should be version 6)
>
> The batches I need are
> 1 to 200 and 400-720
> I have clicked the "Override automatic definition of runs to mark
> discontinuities in data" button as well as created two runs to
> contain the required data
>
> But I get a "Run 2 has not been assigned to a dataset" error.
> How I can exclude a bad wedge in the middle of my data from within
> scala without going through the split and sort route in mtzutils. I
> have attached the com file generated by ccp4i and the error text below
>
> Thanks for your help
> Hari Jayaram
> Postdoc , Miller Lab
> Brandeis University
>
>
> -----------------------------
> The error I get is
> -----------------------------
> 13 714 715 716
> 717 718 719 720
>
> **** Run 2 has not been assigned to a dataset ****
>
> ***************************************************************************
> * Information from CCP4Interface script
> ***************************************************************************
> The program run with command: scala HKLIN "/Users/hari/aps_feb08/
> p2-2/p2-2_A1_1_0001_sorted.mtz" HKLOUT "/tmp/hari/p2_2_12_2_mtz.tmp"
> SCALES "/Users/hari/aps_feb08/p2-2/p2_2_12.scala" ROGUES "/Users/
> hari/aps_feb08/p2-2/p2_2_12_rogues.log" NORMPLOT "/Users/hari/
> aps_feb08/p2-2/p2_2_12_normplot.xmgr" ANOMPLOT "/Users/hari/
> aps_feb08/p2-2/p2_2_12_anomplot.xmgr" PLOT "/Users/hari/aps_feb08/
> p2-2/p2_2_12_surface_plot.plt" CORRELPLOT "/Users/hari/aps_feb08/
> p2-2/p2_2_12_correlplot.xmgr"
> has failed with error message
> Scala: ***** Error in input *****
> ***************************************************************************
>
>
> In the GUI and the com file I can see that Run 2 has been
> correctly assigned to the correct dataset , i.e the same as Run 1 ,
> but I still see this error
> -------------------------------------------------------------------------
> The ccp4i generated com files is attached here
> ------------------------------------------------------------------------
>
> *******************************************************************
> /tmp/hari/p2_2_12_3_com.tmp
> *******************************************************************
> title Scala anon and deleted batches 200_400b try with two run
> definitions
> run 1 -
> INCLUDE batch 1 to 200
> run 2 -
> INCLUDE batch 400 to 720
> RUN 1 reference
> name run 1 project p2_2 crystal p2-2_A1_1 dataset p2_2
> name run 2 project p2_2 crystal p2-2_A1_1 dataset p2_2
> exclude EMAX -
> 10.0
> exclude batch -
> 400 to 540
> partials -
> check -
> test 0.95 1.05 -
> nogap
> intensities PROFILE -
> PARTIALS
> final PARTIALS
> scales -
> rotation SPACING 5 -
> secondary 6 -
> bfactor ON -
> BROTATION SPACING 20
> UNFIX V
> FIX A0
> UNFIX A1
> initial MEAN
> tie surface 0.001
> tie bfactor 0.3
> cycles 10 converge 0.3 reject 2
> anomalous on
> output AVERAGE
> print cycles nooverlap
> RSIZE 80
> ## This script run with the command ##########
> # scala HKLIN "/Users/hari/aps_feb08/p2-2/p2-2_A1_1_0001_sorted.mtz"
> HKLOUT "/tmp/hari/p2_2_12_2_mtz.tmp" SCALES "/Users/hari/aps_feb08/
> p2-2/p2_2_12.scala" ROGUES "/Users/hari/aps_feb08/p2-2/
> p2_2_12_rogues.log" NORMPLOT "/Users/hari/aps_feb08/p2-2/
> p2_2_12_normplot.xmgr" ANOMPLOT "/Users/hari/aps_feb08/p2-2/
> p2_2_12_anomplot.xmgr" PLOT "/Users/hari/aps_feb08/p2-2/
> p2_2_12_surface_plot.plt" CORRELPLOT "/Users/hari/aps_feb08/p2-2/
> p2_2_12_correlplot.xmgr"
>
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