diff options
-rw-r--r-- | Makefile.am | 31 | ||||
-rw-r--r-- | Makefile.in | 48 | ||||
-rw-r--r-- | scripts/README | 2 | ||||
-rwxr-xr-x | scripts/alternate-stream | 2 | ||||
-rwxr-xr-x | scripts/double-hit | 100 | ||||
-rw-r--r-- | scripts/facetron-partiality.gp | 7 | ||||
-rw-r--r-- | scripts/facetron-patterns.gp | 4 | ||||
-rwxr-xr-x | scripts/frequency | 38 | ||||
-rwxr-xr-x | scripts/i0-analysis | 110 | ||||
-rwxr-xr-x | scripts/indexing-rate | 93 | ||||
-rwxr-xr-x | scripts/observed-peak-rate | 122 | ||||
-rwxr-xr-x | scripts/sk_to_crystfel.pl | 139 | ||||
-rwxr-xr-x | scripts/stream-split | 30 | ||||
-rwxr-xr-x | scripts/test-facetron | 7 | ||||
-rwxr-xr-x | scripts/update-geometry | 76 | ||||
-rwxr-xr-x | scripts/zone-axis | 25 |
16 files changed, 40 insertions, 794 deletions
diff --git a/Makefile.am b/Makefile.am index d91d3ec0..db6d1286 100644 --- a/Makefile.am +++ b/Makefile.am @@ -12,6 +12,11 @@ noinst_PROGRAMS = tests/list_check TESTS = tests/list_check tests/first_merge_check tests/second_merge_check \ tests/third_merge_check tests/fourth_merge_check +EXTRA_DIST += tests/first_merge_check tests/second_merge_check \ + tests/third_merge_check tests/fourth_merge_check \ + tests/first_merge_check.hkl tests/third_merge_check.hkl \ + tests/fourth_merge_check.hkl + if BUILD_HDFSEE bin_PROGRAMS += src/hdfsee endif @@ -155,25 +160,19 @@ EXTRA_DIST += doc/geometry.txt doc/indexamajig.txt doc/pattern_sim.txt \ doc/examples/lcls-cxi-9keV.beam scriptdir = $(docdir)/scripts -script_DATA = scripts/check-near-bragg scripts/double-hit \ - scripts/random-image scripts/stream-split scripts/wibbletron \ - scripts/zone-axis scripts/create-mtz scripts/frequency \ - scripts/i0-analysis scripts/mtz2hkl scripts/sequence-image \ - scripts/test-facetron scripts/zone-axes \ - scripts/alternate-stream scripts/README scripts/indexing-rate \ - scripts/observed-peak-rate scripts/cell-please \ +script_DATA = scripts/check-near-bragg scripts/random-image \ + scripts/wibbletron scripts/create-mtz scripts/mtz2hkl \ + scripts/sequence-image scripts/zone-axes \ + scripts/alternate-stream scripts/README scripts/cell-please \ scripts/check-hkl-completeness.gp scripts/check-hkl-quality.gp \ scripts/compare-hkl.gp scripts/check-peak-detection -EXTRA_DIST += scripts/check-near-bragg scripts/double-hit scripts/random-image \ - scripts/stream-split scripts/wibbletron scripts/zone-axis \ - scripts/create-mtz scripts/frequency scripts/i0-analysis \ - scripts/mtz2hkl scripts/sequence-image scripts/test-facetron \ - scripts/zone-axes scripts/alternate-stream scripts/README \ - scripts/indexing-rate scripts/observed-peak-rate \ - scripts/cell-please scripts/check-hkl-completeness.gp \ - scripts/check-hkl-quality.gp scripts/compare-hkl.gp \ - scripts/check-peak-detection +EXTRA_DIST += scripts/check-near-bragg scripts/random-image \ + scripts/wibbletron scripts/create-mtz scripts/mtz2hkl \ + scripts/sequence-image scripts/zone-axes \ + scripts/alternate-stream scripts/README scripts/cell-please \ + scripts/check-hkl-completeness.gp scripts/check-hkl-quality.gp \ + scripts/compare-hkl.gp scripts/check-peak-detection DISTCHECK_CONFIGURE_FLAGS=--enable-gtk-doc diff --git a/Makefile.in b/Makefile.in index e1a30362..ab99bcbd 100644 --- a/Makefile.in +++ b/Makefile.in @@ -562,30 +562,31 @@ target_alias = @target_alias@ top_build_prefix = @top_build_prefix@ top_builddir = @top_builddir@ top_srcdir = @top_srcdir@ -EXTRA_DIST = configure m4/gnulib-cache.m4 src/cell.h src/hdf5-file.h \ - src/image.h src/utils.h src/diffraction.h src/detector.h \ - src/reflist-utils.h src/list_tmp.h src/statistics.h \ - src/dw-hdfsee.h src/render.h src/hdfsee.h src/dirax.h \ - src/mosflm.h src/peaks.h src/index.h src/filters.h \ - src/diffraction-gpu.h src/cl-utils.h src/symmetry.h \ - src/povray.h src/index-priv.h src/geometry.h src/render_hkl.h \ - src/stream.h src/thread-pool.h src/beam-parameters.h \ - src/post-refinement.h src/hrs-scaling.h src/reflist.h \ - $(crystfel_DATA) doc/geometry.txt doc/indexamajig.txt \ - doc/pattern_sim.txt doc/process_hkl.txt doc/symmetry.txt \ - doc/twin-calculator.pdf doc/0-INDEX doc/examples/lcls-dec.geom \ +EXTRA_DIST = configure m4/gnulib-cache.m4 tests/first_merge_check \ + tests/second_merge_check tests/third_merge_check \ + tests/fourth_merge_check tests/first_merge_check.hkl \ + tests/third_merge_check.hkl tests/fourth_merge_check.hkl \ + src/cell.h src/hdf5-file.h src/image.h src/utils.h \ + src/diffraction.h src/detector.h src/reflist-utils.h \ + src/list_tmp.h src/statistics.h src/dw-hdfsee.h src/render.h \ + src/hdfsee.h src/dirax.h src/mosflm.h src/peaks.h src/index.h \ + src/filters.h src/diffraction-gpu.h src/cl-utils.h \ + src/symmetry.h src/povray.h src/index-priv.h src/geometry.h \ + src/render_hkl.h src/stream.h src/thread-pool.h \ + src/beam-parameters.h src/post-refinement.h src/hrs-scaling.h \ + src/reflist.h $(crystfel_DATA) doc/geometry.txt \ + doc/indexamajig.txt doc/pattern_sim.txt doc/process_hkl.txt \ + doc/symmetry.txt doc/twin-calculator.pdf doc/0-INDEX \ + doc/examples/lcls-dec.geom \ doc/examples/lcls-june-r0013-r0128.geom \ doc/examples/lcls-xpp-estimate.geom doc/examples/simple.geom \ doc/examples/lcls-dec.beam doc/examples/lcls-june.beam \ doc/examples/lcls-xpp-estimate.beam \ doc/examples/cspad-feb2011.geom \ doc/examples/lcls-cxi-9keV.beam scripts/check-near-bragg \ - scripts/double-hit scripts/random-image scripts/stream-split \ - scripts/wibbletron scripts/zone-axis scripts/create-mtz \ - scripts/frequency scripts/i0-analysis scripts/mtz2hkl \ - scripts/sequence-image scripts/test-facetron scripts/zone-axes \ - scripts/alternate-stream scripts/README scripts/indexing-rate \ - scripts/observed-peak-rate scripts/cell-please \ + scripts/random-image scripts/wibbletron scripts/create-mtz \ + scripts/mtz2hkl scripts/sequence-image scripts/zone-axes \ + scripts/alternate-stream scripts/README scripts/cell-please \ scripts/check-hkl-completeness.gp scripts/check-hkl-quality.gp \ scripts/compare-hkl.gp scripts/check-peak-detection SUBDIRS = lib doc/reference @@ -682,13 +683,10 @@ crystfeldoc_DATA = doc/geometry.txt doc/indexamajig.txt doc/pattern_sim.txt \ doc/examples/lcls-cxi-9keV.beam scriptdir = $(docdir)/scripts -script_DATA = scripts/check-near-bragg scripts/double-hit \ - scripts/random-image scripts/stream-split scripts/wibbletron \ - scripts/zone-axis scripts/create-mtz scripts/frequency \ - scripts/i0-analysis scripts/mtz2hkl scripts/sequence-image \ - scripts/test-facetron scripts/zone-axes \ - scripts/alternate-stream scripts/README scripts/indexing-rate \ - scripts/observed-peak-rate scripts/cell-please \ +script_DATA = scripts/check-near-bragg scripts/random-image \ + scripts/wibbletron scripts/create-mtz scripts/mtz2hkl \ + scripts/sequence-image scripts/zone-axes \ + scripts/alternate-stream scripts/README scripts/cell-please \ scripts/check-hkl-completeness.gp scripts/check-hkl-quality.gp \ scripts/compare-hkl.gp scripts/check-peak-detection diff --git a/scripts/README b/scripts/README index 1d117d97..a58cb7ff 100644 --- a/scripts/README +++ b/scripts/README @@ -1,3 +1,3 @@ -This director contains useful scripts to enhance the use of CrystFEL. You are +This directory contains useful scripts to enhance the use of CrystFEL. You are supposed to copy them to your working directory, edit them and make them executable (chmod +x). diff --git a/scripts/alternate-stream b/scripts/alternate-stream index 6a711722..1ac2fd3a 100755 --- a/scripts/alternate-stream +++ b/scripts/alternate-stream @@ -11,7 +11,7 @@ my $alt = 0; while ( $line = <FH> ) { - if ( $line =~ /^Reflections\ from\ indexing/ ) { + if ( $line =~ /^-----\ Begin chunk\ -----$/ ) { $alt = 1 - $alt; } diff --git a/scripts/double-hit b/scripts/double-hit deleted file mode 100755 index 55a95ee1..00000000 --- a/scripts/double-hit +++ /dev/null @@ -1,100 +0,0 @@ -#!/usr/bin/perl -w - -use strict; -use File::Basename; - -open(FH, $ARGV[0]); -open(OFH, "> doublehit.dat"); - -my $line; -my $filename; -my $full_filename; - -my $hsteps = 128; -my @hist; -my $hmin = 0; -my $hmax = 5; -my $hstep = ($hmax - $hmin)/$hsteps; - -for ( my $i=0; $i<$hsteps; $i++ ) { - $hist[$i] = 0; -} - -while ( $line = <FH> ) { - - if ( $line =~ /^Reflections\ from\ indexing\ in\ (.+)$/ ) { - $full_filename = $1; - $filename = basename($full_filename); - } - - if ( $line =~ /^Peak\ statistics:\ (\d+)\ .*\ (\d+)\ .*\ (\d+)\ .*\ (\d+)\ / ) { - - my $foundclose = $1; - my $found = $2; - my $indclose = $3; - my $hits = $3; - - $filename =~ /LCLS_(\d+)_([A-Za-z]+)(\d+)_r\d+_(\d\d)(\d\d)(\d\d)_/; - my $year = $1; - my $month = $2; - my $day = $3; - my $hour = $4; - my $min = $5; - my $sec = $6; - - my $div; - - if ( $foundclose > 0 ) { - $div = $found / $foundclose; - } else { - $div = 0.0; - } - - printf(OFH "%s/%s/%s-%s:%s:%s %f\n", $year, $month, $day, - $hour, $min, $sec, - $div); - - if ( $div > 4.0 ) { - printf("Double hit: %s\n", $full_filename); - } - if ( $div == 1.0 ) { - printf("Single hit: %s\n", $full_filename); - } - - my $bin = int(($div-$hmin)/$hstep); - $hist[$bin]++; - } - -} - -close(FH); -close(OFH); - -open(GP, "| gnuplot"); - -print(GP "set term postscript enhanced font \"Helvetica,20\"\n"); -print(GP "set output \"doublehit.ps\"\n"); -print(GP "set xtics nomirror out rotate by -60\n"); -print(GP "set xdata time\n"); -print(GP "set timefmt \"%Y/%b/%d-%H:%M:%S\"\n"); -print(GP "set format x \"%d/%b %H:%M\"\n"); -print(GP "unset key\n"); -print(GP "plot [] [0:5] \"doublehit.dat\" u 1:2 w points\n"); - -open(OFH, "> doublehit-hist.dat"); -for ( my $i=0; $i<$hsteps; $i++ ) { - printf(OFH "%f %f\n", $hmin+$hstep*$i+($hstep/2), $hist[$i]); -} -close(OFH); - -print(GP "set xtics nomirror out rotate by 0\n"); -print(GP "unset xdata\n"); -print(GP "set format x \"% g\"\n"); -print(GP "unset key\n"); -print(GP "plot [] [0:1000] \"doublehit-hist.dat\" u 1:2 w histeps\n"); - -close(GP); - -system("ps2pdf doublehit.ps"); -unlink("doublehit.dat"); -unlink("doublehit.ps"); diff --git a/scripts/facetron-partiality.gp b/scripts/facetron-partiality.gp deleted file mode 100644 index 914a7478..00000000 --- a/scripts/facetron-partiality.gp +++ /dev/null @@ -1,7 +0,0 @@ -set xlabel "Calculated partiality" -set ylabel "Observed Partiality" -set xrange [0:1] -set yrange [0:1] -unset key -set size square -plot "p-iteration-1.dat" using 7:8 w p ps 1 pt 7 lc -1 diff --git a/scripts/facetron-patterns.gp b/scripts/facetron-patterns.gp deleted file mode 100644 index 3fdb6b80..00000000 --- a/scripts/facetron-patterns.gp +++ /dev/null @@ -1,4 +0,0 @@ -set xlabel "Pattern number" -set ylabel "Mean intensity deviation" -unset key -plot "g-iteration-1.dat" using 1:2 w impulses lw 1 lc -1 diff --git a/scripts/frequency b/scripts/frequency deleted file mode 100755 index d6caf72c..00000000 --- a/scripts/frequency +++ /dev/null @@ -1,38 +0,0 @@ -#!/usr/bin/perl -w - -use strict; - -my $nplots = 32; -my $sym = "6/mmm"; - -my $stream = $ARGV[0]; - -#system("~/crystfel/src/process_hkl -i ".$stream." -o test.hkl -y ".$sym); - -open(FH, "test.hkl"); -my $max = 0; -my $h; -my $k; -my $l; -my $line; -while ( $line = <FH> ) { - - chomp $line; - - if ( $line =~ /\s+(\d+)$/ ) { - - my $n = $1; - if ( $n > $max ) { - $line =~ /^\s+(\d+)\s+(\d+)\s+(\d+)\s+/; - $h = $1; - $k = $2; - $l = $3; - $max = $n; - } - - } -} - -printf("%i %i %i = %i\n", $h, $k, $l, $max); - -exit 0; diff --git a/scripts/i0-analysis b/scripts/i0-analysis deleted file mode 100755 index b29892a9..00000000 --- a/scripts/i0-analysis +++ /dev/null @@ -1,110 +0,0 @@ -#!/usr/bin/perl -w - -use strict; -use File::Basename; -use POSIX; - -open(FH, $ARGV[0]); - -my $line; -my $filename; -my $full_filename; - -my $hsteps = 128; -my @hist; - -open(GP, "| gnuplot"); -print(GP "set term postscript enhanced font \"Helvetica,20\"\n"); -print(GP "set output \"i0.ps\"\n"); -print(GP "unset key\n"); -print(GP "set xtics nomirror out rotate by 0\n"); -print(GP "unset xdata\n"); -print(GP "set format x \"% g\"\n"); -print(GP "unset key\n"); - - -# First graph: distribution of scaling factors -my $hmin = -0.1; -my $hmax = 1.5; -my $hstep = ($hmax - $hmin)/$hsteps; -for ( my $i=0; $i<$hsteps; $i++ ) { - $hist[$i] = 0; -} -while ( $line = <FH> ) { - if ( $line =~ /^([\d\.]+)\ ([\d\.]+)$/ ) { - my $scale = $1; - my $i0 = $2; - my $bin = floor(($scale-$hmin)/$hstep); - $hist[$bin]++; - } -} -close(FH); -open(OFH, "> i0-scale-hist.dat"); -for ( my $i=0; $i<$hsteps; $i++ ) { - printf(OFH "%f %f\n", $hmin+$hstep*$i+($hstep/2), $hist[$i]); -} -close(OFH); -print(GP "set title \"Distribution of Scaling Factors\"\n"); -print(GP "plot [] [] \"i0-scale-hist.dat\" u 1:2 w histeps\n"); - - -# Second graph: distribution of gas detector values -$hmin = -0.5; -$hmax = 3.0; -$hstep = ($hmax - $hmin)/$hsteps; -open(FH, $ARGV[0]); -for ( my $i=0; $i<$hsteps; $i++ ) { - $hist[$i] = 0; -} -while ( $line = <FH> ) { - if ( $line =~ /^([\d\.]+)\ ([\d\.]+)$/ ) { - my $scale = $1; - my $i0 = $2; - my $bin = floor(($i0-$hmin)/$hstep); - $hist[$bin]++; - } -} -close(FH); -open(OFH, "> i0-hist.dat"); -for ( my $i=0; $i<$hsteps; $i++ ) { - printf(OFH "%f %f\n", $hmin+$hstep*$i+($hstep/2), $hist[$i]); -} -close(OFH); -print(GP "set title \"Distribution of Gas Detector Values\"\n"); -print(GP "plot [] [] \"i0-hist.dat\" u 1:2 w histeps\n"); - - -# Third graph: distribution of scale factors after scaling i0=1 -$hmin = -0.1; -$hmax = 1.5; -$hstep = ($hmax - $hmin)/$hsteps; -open(FH, $ARGV[0]); -for ( my $i=0; $i<$hsteps; $i++ ) { - $hist[$i] = 0; -} -while ( $line = <FH> ) { - if ( $line =~ /^([\d\.]+)\ ([\d\.]+)$/ ) { - my $scale = $1; - my $i0 = $2; - my $bin = floor((($scale/$i0)-$hmin)/$hstep); - $hist[$bin]++; - } -} -close(FH); -open(OFH, "> i0-prior-hist.dat"); -for ( my $i=0; $i<$hsteps; $i++ ) { - printf(OFH "%f %f\n", $hmin+$hstep*$i+($hstep/2), $hist[$i]); -} -close(OFH); -print(GP "set title \"Distribution of Scaling Factors with I0=1\"\n"); -print(GP "plot [] [] \"i0-prior-hist.dat\" u 1:2 w histeps\n"); - - -close(GP); - -system("ps2pdf i0.ps"); -unlink("i0.dat"); -unlink("i0.ps"); -unlink("i0-hist.dat"); -unlink("i0-prior-hist.dat"); -unlink("i0-scale-hist.dat"); diff --git a/scripts/indexing-rate b/scripts/indexing-rate deleted file mode 100755 index 6dc61f36..00000000 --- a/scripts/indexing-rate +++ /dev/null @@ -1,93 +0,0 @@ -#!/usr/bin/perl -w - -use strict; -use File::Basename; - -open(FH, $ARGV[0]); -open(HITRATE, "> hitrate.dat"); - -my $line; -my $year; -my $month; -my $day; -my $hour; -my $min = -1; -my $sec = -1; -my $nh = 0; - -while ( $line = <FH> ) { - - chomp($line); - - unless ( $line =~ /^Reflections\ from\ indexing\ in\ (.+)$/ ) { - next; - } - - my $filename = basename($1); - - if ( $filename ) { - - unless ( $filename =~ - /LCLS_(\d+)_([A-Za-z]+)(\d+)_r\d\d\d\d_(\d\d)(\d\d)(\d\d)_/ ) { - printf(STDERR "Wrong filename format '%s'!\n", - $filename); - exit(1); - } - - my $new_year = $1; - my $new_month = $2; - my $new_day = $3; - my $new_hour = $4; - my $new_min = $5; - my $new_sec = $6; - - if ( $new_min != $min ) { - - # Not the first time - if ( $sec != -1 ) { - printf(HITRATE "%s/%s/%s-%s:%s:%s %i\n", - $year, $month, $day, - $hour, $min, $sec, $nh); - } - - $year = $new_year; - $month = $new_month; - $day = $new_day; - $hour = $new_hour; - $min = $new_min; - $sec = $new_sec; - $nh = 0; - - } else { - - $nh++; - - } - - } - -} - -close(FH); -close(HITRATE); - -#system("head -n 67 hitrate.dat > hitrate2.dat"); -system("tail -n 105 hitrate.dat > hitrate2.dat"); - -open(GP, "| gnuplot"); - -print(GP "set term postscript enhanced font \"Helvetica,20\"\n"); -print(GP "set output \"hitrate.ps\"\n"); -print(GP "set title \"Hit rate\"\n"); -print(GP "set xtics nomirror rotate by -60\n"); -print(GP "set xdata time\n"); -print(GP "set timefmt \"%Y/%b/%d-%H:%M:%S\"\n"); -print(GP "set format x \"%d/%b %H:%M\"\n"); -print(GP "set rmargin 6\n"); -print(GP "unset key\n"); -print(GP "plot [] [] \"hitrate2.dat\" u 1:2 w histeps lw 3 lc 3\n"); -close(GP); - -system("ps2pdf hitrate.ps"); -#unlink("hitrate.dat"); -unlink("hitrate.ps"); diff --git a/scripts/observed-peak-rate b/scripts/observed-peak-rate deleted file mode 100755 index 00e0ba4d..00000000 --- a/scripts/observed-peak-rate +++ /dev/null @@ -1,122 +0,0 @@ -#!/usr/bin/perl -w - -use strict; -use File::Basename; - -open(FH, $ARGV[0]); -open(HITRATE, "> hitrate.dat"); -open(NPEAKS, "> npeaks.dat"); - -my $line; -my $filename = ""; -my $full_filename; -my $np; -my $year; -my $month; -my $day; -my $hour; -my $min; -my $sec = -1; -my $nh = 0; -my $ns = 0; - -while ( $line = <FH> ) { - - chomp($line); - - if ( $line =~ /^\s+[0-9\.]+\s+[0-9\.]+\s+[0-9\.]+\s+[0-9\.]+$/ ) { - $np++; - } - - unless ( $line =~ /^Peaks\ from\ peak\ search\ in\ (.+)$/ ) { - next; - } - - $full_filename = $1; - - # Process last image - if ( $filename ) { - - unless ( $filename =~ - /LCLS_(\d+)_([A-Za-z]+)(\d+)_(\d\d)(\d\d)(\d\d)_/ ) { - printf(STDERR "Wrong filename format '%s'!\n", - $filename); - exit(1); - } - - my $new_year = $1; - my $new_month = $2; - my $new_day = $3; - my $new_hour = $4; - my $new_min = $5; - my $new_sec = $6; - - if ( $new_sec != $sec ) { - - if ( $ns > 0 ) { - - printf(HITRATE "%s/%s/%s-%s:%s:%s %f\n", - $year, $month, $day, - $hour, $min, $sec, - $nh); - - } - - $year = $new_year; - $month = $new_month; - $day = $new_day; - $hour = $new_hour; - $min = $new_min; - $sec = $new_sec; - - $nh = 0; - $ns = 0; - - } - - printf(NPEAKS "%s/%s/%s-%s:%s:%s %f\n", - $year, $month, $day, $hour, $min, $sec, $np); - - printf("%s: %i peaks\n", $filename, $np); - if ( $np > 10 ) { - $nh++; - } - $ns++; - - } - - $filename = basename($full_filename); - $np = 0; - -} - -close(FH); -close(HITRATE); -close(NPEAKS); - -open(GP, "| gnuplot"); - -print(GP "set term postscript enhanced font \"Helvetica,20\"\n"); -print(GP "set output \"hitrate.ps\"\n"); -print(GP "set title \"Hit rate\"\n"); -print(GP "set xtics nomirror rotate by -60\n"); -print(GP "set xdata time\n"); -print(GP "set timefmt \"%Y/%b/%d-%H:%M:%S\"\n"); -print(GP "set format x \"%d/%b %H:%M\"\n"); -print(GP "set rmargin 6\n"); -print(GP "unset key\n"); -print(GP "plot [] [] \"hitrate.dat\" u 1:2 w points\n"); - -print(GP "set xtics nomirror rotate by -60\n"); -print(GP "set title \"Number of Peaks per Image\"\n"); -print(GP "set xdata time\n"); -print(GP "set timefmt \"%Y/%b/%d-%H:%M:%S\"\n"); -print(GP "set format x \"%d/%b %H:%M\"\n"); -print(GP "unset key\n"); -print(GP "plot [] [] \"npeaks.dat\" u 1:2 w points\n"); - -close(GP); - -system("ps2pdf hitrate.ps"); -unlink("hitrate.dat"); -unlink("hitrate.ps"); diff --git a/scripts/sk_to_crystfel.pl b/scripts/sk_to_crystfel.pl deleted file mode 100755 index d0dd0f4f..00000000 --- a/scripts/sk_to_crystfel.pl +++ /dev/null @@ -1,139 +0,0 @@ -#!/usr/bin/perl -w - -use strict; - -open(ROT, "< rotations.lst"); -open(COORD, "< coords.dat"); -open(OUT, "> cspad-feb2011.geom"); - -my $quadrant = 0; -printf(OUT "n_panels = 64\n\n"); -my $x = 0; -my $y = 0; -my $p = 0; - -my $global_x = 0.0; -my $global_y = 0.0; - -while ( my $coord = <COORD> ) { - - my $rot = <ROT>; - my $cx = 0.0; - my $cy = 0.0; - my $minx = $x*194; - my $miny = $y*185; - my $sc1; - my $sc2; - - chomp $coord; - chomp $rot; - - if ( $coord =~ /\(([0-9\.\-]+),\s([0-9\.\-]+)\)/ ) { - $sc1 = $1; - $sc2 = $2; - printf("%f %f\n", $sc1, $sc2); - - } else { - printf("!!!\n"); - } - - my $a = 388.0; # Fast scan - my $b = 185.0; # Slow scan - - # FIXME: Remove the $b for versions of Stephan's code after 20th Feb - $sc1 -= (1308.696-$b); - $sc2 -= (980.3862-$b); - - my $sx = -$sc2; - my $sy = -$sc1; - - printf(OUT "; Quadrant %i, asic %i\n", $quadrant, ($x%2)+2*$y); - printf(OUT "%i/min_fs = %i\n", $p, $minx); - printf(OUT "%i/min_ss = %i\n", $p, $miny); - printf(OUT "%i/max_fs = %i\n", $p, ($x+1)*194-1); - printf(OUT "%i/max_ss = %i\n", $p, ($y+1)*185-1); - printf(OUT "%i/badrow_direction = -\n", $p); - printf(OUT "%i/res = 9090.91\n", $p); - printf(OUT "%i/peak_sep = 6.0\n", $p); - printf(OUT "%i/clen = 77.0e-3\n", $p); - if ( $rot == "0" ) { - printf(OUT "%i/fs = -x\n", $p); - printf(OUT "%i/ss = -y\n", $p); - $cx = $sx; - $cy = $sy; - } elsif ( $rot == "90" ) { - printf(OUT "%i/fs = +y\n", $p); - printf(OUT "%i/ss = -x\n", $p); - $cx = $sx; - $cy = $sy - $a - 5.0; - } elsif ( $rot == "180" ) { - printf(OUT "%i/fs = +x\n", $p); - printf(OUT "%i/ss = +y\n", $p); - $cx = $sx - $a - 5.0; - $cy = $sy - $b; - } elsif ( $rot == "270" ) { - printf(OUT "%i/fs = -y\n", $p); - printf(OUT "%i/ss = +x\n", $p); - $cx = $sx - $b; - $cy = $sy; - } - printf(OUT "%i/corner_x = %5.2f\n", $p, $cx+$global_x); - printf(OUT "%i/corner_y = %5.2f\n", $p, $cy+$global_y); - printf(OUT "%i/no_index = 0\n", $p); - printf(OUT "\n"); - #if ( ($y < 20) && ($x < 1) ) { - printf(STDERR "%f %f %f %f\n", $cx, $cy, $sc1, $sc2); - #} - $x++; - $p++; - - printf(OUT "; Quadrant %i, asic %i\n", $quadrant, ($x%2)+2*$y); - printf(OUT "%i/min_fs = %i\n", $p, $x*194); - printf(OUT "%i/min_ss = %i\n", $p, $y*185); - printf(OUT "%i/max_fs = %i\n", $p, ($x+1)*194-1); - printf(OUT "%i/max_ss = %i\n", $p, ($y+1)*185-1); - printf(OUT "%i/badrow_direction = -\n", $p); - printf(OUT "%i/res = 9090.91\n", $p); - printf(OUT "%i/peak_sep = 6.0\n", $p); - printf(OUT "%i/clen = 77.0e-3\n", $p); - if ( $rot == "0" ) { - printf(OUT "%i/fs = -x\n", $p); - printf(OUT "%i/ss = -y\n", $p); - $cx = $sx - $a/2.0 - 5.0; - $cy = $sy; - } elsif ( $rot == "90" ) { - printf(OUT "%i/fs = +y\n", $p); - printf(OUT "%i/ss = -x\n", $p); - $cx = $sx; - $cy = $sy - $a/2.0; - } elsif ( $rot == "180" ) { - printf(OUT "%i/fs = +x\n", $p); - printf(OUT "%i/ss = +y\n", $p); - $cx = $sx - $a/2.0; - $cy = $sy - $b; - } elsif ( $rot == "270" ) { - printf(OUT "%i/fs = -y\n", $p); - printf(OUT "%i/ss = +x\n", $p); - $cx = $sx - $b; - $cy = $sy - $a/2.0 - 5.0; - } - printf(OUT "%i/corner_x = %5.2f\n", $p, $cx+$global_x); - printf(OUT "%i/corner_y = %5.2f\n", $p, $cy+$global_y); - printf(OUT "%i/no_index = 0\n", $p); - printf(OUT "\n"); - #if ( ($y < 20) && ($x < 1) ) { - printf(STDERR "%f %f %f %f\n", $cx, $cy, $sc1, $sc2); - #} - $x++; - $p++; - - if ( $x == 8 ) { - $x = 0; - $y++; - } - - $quadrant++; - if ( $quadrant == 4 ) { - $quadrant = 0; - } -} diff --git a/scripts/stream-split b/scripts/stream-split deleted file mode 100755 index 739b341b..00000000 --- a/scripts/stream-split +++ /dev/null @@ -1,30 +0,0 @@ -#!/usr/bin/perl -w - -use strict; - -open(FH, $ARGV[0]); -open(OFH_IND, "> ".$ARGV[1]); -open(OFH_PEAKS, "> ".$ARGV[2]); - -my $line; -my $mode = 0; - -while ( $line = <FH> ) { - - if ( $line =~ /^Reflections\ from\ indexing/ ) { - $mode = 1; - } - - if ( $line =~ /^Peaks\ from\ peak\ search/ ) { - $mode = 2; - } - - if ( $mode == 1 ) { - printf(OFH_IND $line); - } elsif ( $mode == 2 ) { - printf(OFH_PEAKS $line); - } else { - printf($line); - } - -} diff --git a/scripts/test-facetron b/scripts/test-facetron deleted file mode 100755 index 63efc811..00000000 --- a/scripts/test-facetron +++ /dev/null @@ -1,7 +0,0 @@ -#!/bin/sh - -echo $1 | ~/crystfel/src/indexamajig --indexing=dirax -i - \ - -g ~/crystfel/examples/lcls-dec.geom \ - -p ~/lcls/1JB0.pdb \ - --near-bragg \ - | ~/crystfel/src/facetron -g ~/crystfel/examples/lcls-dec.geom diff --git a/scripts/update-geometry b/scripts/update-geometry deleted file mode 100755 index 82f961ba..00000000 --- a/scripts/update-geometry +++ /dev/null @@ -1,76 +0,0 @@ -#!/usr/bin/perl -w - -use strict; - -open(FH, $ARGV[0]); - -my $done = 0; -my $cx = 0.0; -my $cy = 0.0; -my $pan = 10000000; -my $min_x; -my $min_y; - -while ( my $line = <FH> ) { - - chomp $line; - - if ( $line =~ /^([0-9]+)\/min_x\ =\ ([0-9,\.\-e]+)$/ ) { - - $pan = $1; - $min_x = $2; - printf("%i/min_fs = %i\n", $pan, $min_x); - - } elsif ( $line =~ /^([0-9]+)\/min_y\ =\ ([0-9,\.\-e]+)$/ ) { - - if ( $1 != $pan ) { - printf(STDERR "Error!\n"); - exit(1); - } - $min_y = $2; - printf("%i/min_ss = %i\n", $pan, $min_y); - - } elsif ( $line =~ /^([0-9]+)\/max_x\ =\ ([0-9,\.\-e]+)$/ ) { - - if ( $1 != $pan ) { - printf(STDERR "Error!\n"); - exit(1); - } - printf("%i/max_fs = %i\n", $pan, $2); - - } elsif ( $line =~ /^([0-9]+)\/max_y\ =\ ([0-9,\.\-e]+)$/ ) { - - if ( $1 != $pan ) { - printf(STDERR "Error!\n"); - exit(1); - } - printf("%i/max_ss = %i\n", $pan, $2); - - } elsif ( $line =~ /^([0-9]+)\/cx\ =\ ([0-9,\.\-e]+)$/ ) { - - $cx = $2; - if ( $1 != $pan ) { - printf(STDERR "Error!\n"); - exit(1); - } - - } elsif ( $line =~ /^([0-9]+)\/cy\ =\ ([0-9,\.\-e]+)$/ ) { - - $cy = $2; - if ( $1 != $pan ) { - printf(STDERR "Error!\n"); - exit(1); - } - - printf("%i/corner_x = %5.2f\n", $pan, $min_x - $cx); - printf("%i/corner_y = %5.2f\n", $pan, $min_y - $cy); - printf("%i/fs = x\n", $pan); - printf("%i/ss = y\n", $pan); - - } else { - printf("%s\n", $line); - } - -} - -exit($done); diff --git a/scripts/zone-axis b/scripts/zone-axis deleted file mode 100755 index a9e77dda..00000000 --- a/scripts/zone-axis +++ /dev/null @@ -1,25 +0,0 @@ -#!/usr/bin/perl -w - -use strict; - -open(FH, $ARGV[0]); - -my $line; - -while ( $line = <FH> ) { - - if ( $line =~ /^([\d\-]+)\s+([\d\-]+)\s+([\d\-]+)\s+([\d\.\-]+)\s+/ ) { - - my $h = $1; - my $k = $2; - my $l = $3; - my $intensity = $4; - - if ( $l == 0 ) { - printf("%3i %3i %3i %f\n", $h, $k, $l, $intensity); - } - - - } - -} |