CHAPTER 7 - THE 'PROCESS' OPTION

7.1 INTRODUCTION

This option selects the processing mode of the LAUEGEN program. When it is selected, the 'Processing Menu' is displayed. It has the following options available: 
  <Display/Measure Image>
  <Determine Spot Size>
  <Refine Orientation>
  <Improve Soft Limits>
  <Integrate Spots>
  <Write Parameters File>


  <End Processing>

List of sections:

Processing Options
Logging Parameter Value Changes
Changing Parameter Values in Process Mode
Integration Status

7.2 PROCESSING OPTIONS

Currently there are four processing options available; these are:

  1. to determine values for the spot size.

  2. to refine the crystal orientation and related parameters.

  3. to improve the dmin and lambda-min soft limits based on an analysis of integrated intensities.

  4. to integrate spot intensities and write out an integated intensities file.
These four options are described in detail in subsequent chapters. The <Display/Measure Image> option is the same as that available from the main menu and repeated here for convenience; it is described above in Chapter 5 . There is, in addition, an option to write out an LDM parameters file whilst still remaining within the processing mode. The <End Processing> option enables a return to be made to the program's main menu.

7.3 LOGGING PARAMETER VALUE CHANGES

If a log file is being written then, when the 'process' mode is entered, this fact will be noted and the current values of the LDM parameters will be output to the log file. Changes in parameters will be monitored from this stage and any changed parameter values will be logged when one of the processing options is invoked.

7.4 CHANGING PARAMETER VALUES IN PROCESS MODE

It should be noted that, when the program is in the 'process' mode, there is a restriction on which parameters may be edited and the following parameters may not be changed: 

   Parameter          LDM
   table name         keyword


   system             SYSTEM
   lattice            LATTICE
   symmetry           SYMMETRY
   rotation axis      ROTATION_AXIS
   beam axis          BEAM_AXIS
   image type         IMAGE_TYPE
   image data         IMAGE_DATA
   axis order         AXORD
   fiducials          FIDTYPE
   nxrast             NXRAST
   nyrast             NYRAST
   raster             RASTER_SIZE
   numpack            NUMPACK
   nplates            NPLATES
   template           TEMPLATE
   detector tilt      DTILT

7.5 INTEGRATION STATUS

When the process mode is entered or left, a check is made on the status of any spot integrations carried out. On entry, if spots have been integrated, the user is given the choice to clearing any current integrated data before proceeding. On exit, a warning is given if spots have been integrated but the integrated spots have not yet been saved in an output file; the user may then stay in process mode and write out the integrated intensities or exit the process mode anyway. Further details are given in Appendix 15 .


John W. Campbell
CCLRC Daresbury Laboratory
Last update 16 Jan 1998