BuildEval15

Introduction
How it works
Invocation
Tips and Tricks

Introduction

buildeval15 is a program to create a eval15 initscript with default integration parameters.

How it works

The header of the first of the available boxfiles is read. Extracted from this header are:

targetmaterial XX (Mo, Cu,....)
wavelength (in Ångström)
detectortype (KappaCCD mar marccd adsc smart raxis)

Based on this information, the availability of certain files in the calibration directories, the availability of the files absorb.ins and xtal.evc a startup script eval15.init is created.

Set wavelength parameters
- If spectrum.pic exists, use it.
- Else if targetmaterial (XX) is known, search the calibration directories for spectrumXX.pic. If found, copy this file to spectrum.pic and use it.
- Otherwise create spectrum.pic with wavelength information extracted from the boxfile.
Set focus parameters
- If focus.pic exists, use it.
- Else if targetmaterial (XX) is known, search the calibration directories for focusXX.pic. If found, copy this file to focus.pic and use it.
- Otherwise create focus.pic
  - Search up for xtal.evc. If found, extract the focus parameters from this file.
  - If detectortype is one of kappa, KappaCCD, CCD-LDI-PROTEUM, CCD-PXL-L6000 or CCD-LDI-APEX, set focustype=tube
  - You set the focustype to one of unknown tube rotating mirror synchrotron
Set Detector parameters
- If detector.pic exists, use it
- Else if targetmaterial (XX) is known, search the calibration directories for detectorXX.pic. If found, copy this file to detector.pic and use it.
- Otherwise create detector.pic
  - You enter the value of pointspreadgamma
Set Crystal parameters
- If crystal.pic exists, use it
- Otherwise create crystal.pic
  - Search up for absorb.ins. If found, extract face information.
  - Else search up for xtal.evc. If found, extract the crystal parameters.
  - Otherwise you enter the sphere diameter.
Set Mosaicity
- If mosaic.pic exists, use it
- Otherwise create mosaic.pic
  - Search up for xtal.evc. If found, extract the mosaic parameters from this file
  - You enter the mosaicity.
Set Simulation parameters
- If simulate.pic exists, use it
- Otherwise create simulate.pic
Set Refine parameters
- If refine.pic exists, use it
- Otherwise create refine.pic
Create eval15.init. This will invoke:

The files xtalshift.pic and extra.pic may be created at a later stage.

Invocation

buildeval15

Tips and Tricks

If you answer a to one of the questions, the proposed answers for all remaining questions will be used. buildeval15 a will create all scripts, without any user input.

EVPY Suite Overview