Mccd xdsparams.pl: Difference between revisions

The following is a script that I obtained from Ana Gonzalez (thanks a lot, Ana!) and which may be re-distributed according to the copyright and permission notice given.

It is called mccd_xdsparams.pl and should be in your $PATH if you want to use my [[generate_XDS.INP]] script.

#!/usr/bin/perl -w

#

#

#                        Copyright 2004

#                              by

#                The Board of Trustees of the

#              Leland Stanford Junior University

#                      All rights reserved.

#

#                      Disclaimer Notice

#

#    The items furnished herewith were developed under the sponsorship

# of the U.S. Government.  Neither the U.S., nor the U.S. D.O.E., nor the

# Leland Stanford Junior University, nor their employees, makes any war-

# ranty, express or implied, or assumes any liability or responsibility

# for accuracy, completeness or usefulness of any information, apparatus,

# product or process disclosed, or represents that its use will not in-

# fringe privately-owned rights.  Mention of any product, its manufactur-

# er, or suppliers shall not, nor is it intended to, imply approval, dis-

# approval, or fitness for any particular use.  The U.S. and the Univer-

# sity at all times retain the right to use and disseminate the furnished

# items for any purpose whatsoever.

#

#                      Permission Notice

#

# Permission is hereby granted, free of charge, to any person obtaining a

# copy of this software and associated documentation files (the "Software"),

# to deal in the Software without restriction, including without limitation

# the rights to use, copy, modify, merge, publish, distribute, sublicense,

# and/or sell copies of the Software, and to permit persons to whom the

# Software is furnished to do so, subject to the following conditions:

#

# The above copyright notice and this permission notice shall be included

# in all copies or substantial portions of the Software.

#

# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS

# OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTA-

# BILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO

# EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM,

# DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR

# OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR

# THE USE OR OTHER DEALINGS IN THE SOFTWARE.

#

# MARCDD image header format

#

# TIFF header 1024 bytes

# Private frame header 3072 bytes

## file/header format parameters 256 bytes

## data statistics 128 bytes

## more statistics 256 bytes

## goniostat parameters 128 bytes

### xtal_to_detector int32 (mm*1000)

### beam_x int32 (pixel*1000)

### beam_y int32 (pixel*1000)

## detector parameters 128 bytes

### detector_type int32

### pixelsize_x int32 (nanometers

### pixelsize_y int32 (nanometers

##X-ray source parameters 128 bytes

die "ERROR: Missing Argument. \nUsage: $0 [options] <image_filename>\n" unless @ARGV;

while ($_ = $ARGV[0], /^-/) {

        shift;

        last if /^--$/;

        # if (/^-D(.*)/) { $debug = $1 }

        if (/^-v/)    { $verbose = 1 }

        # ...          # other switches

}

open ( FILE, '<', $ARGV[0] ) or

        die ( "ERROR: Cannot open file" );

seek ( FILE, 1024+80, 0 );

read ( FILE , $size_fast, 4 );

read ( FILE , $size_slow, 4 );

seek ( FILE, 1024+256+128+256, 0 );

read ( FILE , $xtal_to_detector, 4 );

read ( FILE , $beam_x, 4 );

read ( FILE , $beam_y, 4 );

seek ( FILE, 1024+256+128+256+16, 0);

read ( FILE , $exp, 4 ); #exp time x 1000

seek ( FILE, 1024+256+128+256+44, 0);

read ( FILE , $start_phi, 4 ); #start phi x 1000

seek ( FILE, 1024+256+128+256+76, 0);

read ( FILE , $end_phi, 4 ); #end phi x 1000

seek ( FILE, 1024+256+128+256+128, 0 );

read ( FILE , $detector_type, 4 );

read ( FILE , $pixelsize_x, 4 );

read ( FILE , $pixelsize_y, 4 );

seek ( FILE, 1024+256+128+256+128+128+12, 0 );

read ( FILE , $wavelength, 4 ); #wavelength x 10000

close ( FILE );

$size_fast = unpack ('i*' ,$size_fast);

$size_slow = unpack ('i*' ,$size_slow);

$xtal_to_detector =unpack('i*' ,$xtal_to_detector) / 1000;

$detector_type =unpack('i*' ,$detector_type);

$beam_x = unpack ('i*' ,$beam_x) / 1000 ; # pixels

$beam_y = unpack ('i*' ,$beam_y) / 1000 ; # pixels

$beam_xc = $size_fast - $beam_x ;

$beam_yc = $size_fast - $beam_y ;

$pixelsize_x = unpack ('i*' ,$pixelsize_x) / 1000000 ;  # mm

$pixelsize_y = unpack ('i*' ,$pixelsize_y) / 1000000 ;  # mm

$beam_x_mm = $beam_x * $pixelsize_x  ; # mm

$beam_y_mm = $beam_y * $pixelsize_y ; # mm

$exp = unpack ('i*' ,$exp) / 1000 ; #seconds

$start_phi = unpack ('i*' ,$start_phi); #mdeg

$end_phi = unpack ('i*' ,$end_phi); #mdeg

$osc = ($end_phi - $start_phi)/1000; # deg

$wavelength = unpack ('i*' ,$wavelength)/100000  ; #A

if ($verbose) {

        print "NX= ${size_fast} NY= ${size_slow} QX= ${pixelsize_x} QY= ${pixelsize_y} \n";

        print "DETECTOR_DISTANCE= ${xtal_to_detector} \n";

        print "ORGX= ${beam_xc}  ORGY= ${beam_yc} \n";

        print "OSCILLATION_RANGE= ${osc} \n";

        print "X-RAY_WAVELENGTH= ${wavelength} \n";

} else {

        print "$size_fast,$size_slow", "\n";

        print "$xtal_to_detector", "\n";

        print "$beam_x_mm,$beam_y_mm", "\n";

        print "$pixelsize_x", "\n";

        print "$exp","\n";

        print "$osc","\n";

        print "$wavelength","\n";

}

exit