HKL/Scaling & Merging with SCALEPACK

Get a copy of a template SCALE.COM file with

---

$ copy $p:[denzo.example]scale.com *

---

or by clicking here. Then edit the file with

---

$ edit /tpu scale.com

---

(or whatever your favorite editor is called). Don't forget to change the
$ set def command at the top of the file! When you're ready to face the truth about your data, submit the job to a batch queue with

---

$ submit /log=[] /noprint /notify scale.com

---

When the job has finished you can inspect the .log file. The scaled and merged unique data is written to scale1.dat. Remember, SCALEPACK writes intensities, not structure factor amplitudes!!! The file contains your reduced data in the form
h, k, l, I, sigma(I).

A second file called reject.dat lists reflections that were flagged as having outliers. In a second run of SCALE.COM you should uncomment the [@reject.dat] statement to have these reflections removed from the final scaling run.

---