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marStrategy - Predicts spots and calculates best data collection strategy.


marStrategy [ -h ] [ -s SPACEGROUP ] [ -r RESOLUTION ] [ -P PHI_SLICE PHI_TOTAL ] [ -ax A B C ] [ -an ALPHA BETA GAMMA ] [ FILE ]


marStrategy calculates the best data collection strategy from an orientation matrix in marIndex format. The program reads a keyworded input file (file_name.amp). The format of this file is compatible with the relevant keywords for marIndex with some extensions. The program can be run stand-alone but usage within the graphical user interface automar is highly recommended. automar gives a good visual representation of the most interesting tables.


Print usage information.
Spacegroup number.
Maximum resolution to be used for strategy calculation.
Make prediction covering PHI_TOTAL degrees and analyse results in slices of PHI_SLICE degrees.
-ax A B C
Cell axes a, b, c.
Cell angles.
Read diffraction parameters from file FILE. The parameter file can be taken directly from output of program marIndex. It is called <name>.amp. You still have to specify the total phi range to be covered and the size of phi slices for analysis. Typical usage is: marStrategy marStrategy.ctrl.


SPAC*egroup <number> or <name>
Space group of crystal.
Default: SPACEGROUP 1 (triclinic)

LATT*ice <name>
One of "aP", "mP", "mC", "mA", "mB", "mI", "hP", "hR", "oP", "oC", "oI", "oF", "tP", "tI", "cP", "cI", or "cF". Obsolete when SPACEgroup given.
Default: LATTICE aP

CELL <a> <b> <c> [<alpha> <beta> <gamma>]
Unit cell parameters in Ang, deg.
Default: Angles all 90.0 deg.

DIST*ance <dist>
Distance crystal to detector in mm.
Default: DISTANCE 100.0

WAVE*length <lambda>
Wavelength of radiation.
Default: WAVELENGTH 1.54178

MOSA*icity <mosa>
Mosaic spread of crystal in degrees.
Default: MOSAICITY 0.0

CHI <chi>
CHI angle in degrees.
Default: CHI 0.0

OMEG*a <omega>
OMEGA angle in degrees.
Default: OMEGA 0.0

TWOT*eta <chi>
2-Theta angle in degrees.
Default: TWOTHETA 0.0

RESO*lution <max> [<min>]
Resolution limits in Angst.
Default: RESOLUTION LIMITS 2.0 999.

HKL*limits <hmax> <kmax> <lmax>
Maximum hkl values used for prediction.
Default: Get from resolution limits.

BEAM*center or CENT*er <xcen> <ycen>
Center of beam in x and y (pixels).
Default: Half plate diameter.

PIXE*lsize <pixelsize>
Pixelsize in mm.
Default: PIXELSIZE 0.150

PHI START <phi_beg> RANGE <dphi> TOTAL <total_phi>
Starting PHI, PHI range for prediction and analysis and total PHI range to be covered.
Default: PHI START 0.0 RANGE 10.0 TOTAL 360.0.

SCAN <size>
No. of pixels in image in 1 dimension. Use one of 8 formats: 1200, 1600, 1800, 2000, 2300, 3000 or 3450.
Default: SCAN 1200

ORIE*ntation <phi_x> <phi_y> <phi_z>
Orientation angles of crystal in marIndex notation.
Default: ORIENTATION 0.0 0.0 0.0

AXES <l1> <l2> <l3>
Direction of the orientation angles in marIndex notation.
Default: AXES 1 2 3

Input Files

The program requires the input file in the local directory.

Output Files

The program produces the output file MARSTRATEGY.LP.


Example of file contents of the input parameter file:

cell79.4 79.4 38.1
orientation36.378 -11.994 -10.211
axes3 2 -1
phi start0.0
phi oscillation10.0
phi total360.0
scanmode1200 x 1200
pixelsize0.150 0.150
beamcenter600.0 600.0

See Also

automar, marIndex, marPredict, marProcess


Claudio Klein, marXperts GmbH, Norderstedt,



© Copyright 1997-2003 marXperts GmbH, Norderstedt, Germany


marXperts GmbHPhone: +49 - (40) - 529 884-0
Werkstr. 3 FAX: +49 - (40) - 529 884-20
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