Input files for Eval14
Interactive or Batch
Eval14 is an integration method for single crystal X-ray diffraction
on area detectors. It differs in many aspects from current approaches.
Rather than using so-called profile fitting for the integration,
eval14 uses the very powerful outline prediction method based on
knowledge about the exact experimental setup.
The eval14 methods are described in
A.J.M. Duisenberg, L.M.J. Kroon-Batenburg and A.M.M. Schreurs
An intensity evaluation method: EVAL-14
J. Appl. Cryst. 36, (2003) 220-229.
Reflection data must be supplied in boxfiles,
which also contain information about the experimental setup.
Crystal description (and some experimental information)
and program control parameters are read from the file
xtal.evc or interactively supplied by the user.
By typing help at the Eval14 prompt, netscape is
started to display this documentation.
For interactive mode, you start the program with
You will be prompted for a boxfilename, and if
xtal.evc does not exist you will be prompted
for the crystal description and program control parameters. Then you
may browse through the boxfiles, change parameters and create
a new xtal.evc file.
For batch mode you start the program with
eval14 batch boxfilename [xtalevcfile].
You must specify the boxfilename. The program will run
through all the reflections in the boxfile and will create .y
files. In Batch mode you may also specify the xtal.evc filename on the
- 31 mar 2005
integrate around predicted rotation position if reflection lies
within 2 frames.
- 29 mar 2004
neigbour prediction with cvector test on box diagonal
- 6 nov 2003
Sigma was calculated according to the BPB formula.
Sigma is now calculated using sigma(Background).
- 3 jul 2002
integration of peaks is done around lambda_mid = (alpha1+alpha2)/2.
final impacts correspond to lambda_mean (2*alpha1+alpha2)/3
EVPY Suite Overview