scalepack--scale data in .sca format with original index

From: Jerry McCully

Dear ALL;

           I am sorry for this "HKL2000 scalepack" question.

           To confirm the scape group using Pointless, I processed the images using HKL2000 but kept the original index using "No merge original index".

           Now Pointless gave the right space group, and I want to merge my data from the existing ".sca" file with the original index to report the scaling statistics.

          Can anyone help me to correct the following scripts? By the way, the orignal index format in Scalepack is (6i4, i6, 2i2, i3, 2f8.1).

            Thanks a lot and have a nice weekend,

Jerry

Format scalepack
FILE 1 'no-merge-original-index.sca'
@reject
resolution 40 1.8
number of zones 20
estimated error
0.06 0.07 0.07 0.07 0.08
0.07 0.08 0.07 0.07 0.04
0.03 0.03 0.03 0.03 0.02
0.02 0.02 0.02 0.02 0.02
error scale factor 1.3
default scale 10
rejection probability 0.0001
scale restrain 0.01
B restrain 0.02
space group P2221
unit cell 70.191    88.586   158.416    90.000    90.000    90.000
output file 'merge.sca'
postrefine 20
merge

----------
From: Ethan Merritt
Since you have already processed the data in pointless, it seems to me that
the simplest and most logical thing to do is simply to continue with the output
from pointless by feeding it to scala.   In the CCP4i GUI, the path is
 Data Reduction
 -> Scale and Merge Intensities



--
Ethan A Merritt
Biomolecular Structure Center,  K-428 Health Sciences Bldg
University of Washington, Seattle 98195-7742