changeset 130:5bf5e5fb672e draft

planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit dfe15e79689bca8ddcd843f9cf47eff29f6ee2e4-dirty
author ximgchess
date Tue, 20 Jun 2023 11:58:39 +0000
parents 4419a9789d92
children 905acff8ffdb
files saxswaxs/PIL5.poni saxswaxs/PIL5.tif saxswaxs/det.poni saxswaxs/integration.yaml saxswaxs/map.yaml saxswaxs/reduce.xml saxswaxs/test_1d saxswaxs/test_1d_001/test_1d_PIL11_001_000.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_001.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_002.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_003.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_004.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_005.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_006.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_007.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_008.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_009.tiff saxswaxs/test_1d_001/test_1d_PIL11_001_010.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_000.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_001.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_002.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_003.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_004.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_005.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_006.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_007.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_008.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_009.tiff saxswaxs/test_1d_001/test_1d_PIL5_001_010.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_000.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_001.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_002.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_003.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_004.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_005.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_006.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_007.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_008.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_009.tiff saxswaxs/test_1d_001/test_1d_PIL9_001_010.tiff saxswaxs/test_scans saxswaxs/test_scans_001/test_scans_det_001_000.tiff saxswaxs/test_scans_001/test_scans_det_001_001.tiff saxswaxs/test_scans_001/test_scans_det_001_002.tiff saxswaxs/test_scans_002/test_scans_det_002_000.tiff saxswaxs/test_scans_002/test_scans_det_002_001.tiff saxswaxs/test_scans_002/test_scans_det_002_002.tiff saxswaxs/test_scans_003/test_scans_det_003_000.tiff saxswaxs/test_scans_003/test_scans_det_003_001.tiff saxswaxs/test_scans_003/test_scans_det_003_002.tiff
diffstat 50 files changed, 50 insertions(+), 136 deletions(-) [+]
line wrap: on
line diff
--- a/saxswaxs/PIL5.poni	Tue Jun 20 11:35:00 2023 +0000
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,12 +0,0 @@
-# Nota: C-Order, 1 refers to the Y axis, 2 to the X axis 
-# Calibration done at Wed Dec  1 09:43:02 2021
-poni_version: 2
-Detector: Pilatus300k
-Detector_config: {}
-Distance: 1.6482087488134558
-Poni1: 0.1678687786895594
-Poni2: 0.13236163515363114
-Rot1: 0.05582857735072926
-Rot2: -0.07300334677284326
-Rot3: 3.757385675073369e-05
-Wavelength: 1.2781876020248165e-10
Binary file saxswaxs/PIL5.tif has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/saxswaxs/det.poni	Tue Jun 20 11:58:39 2023 +0000
@@ -0,0 +1,12 @@
+# Nota: C-Order, 1 refers to the Y axis, 2 to the X axis 
+# Calibration done at Wed May 24 10:05:27 2023
+poni_version: 2
+Detector: Pilatus300k
+Detector_config: {}
+Distance: 1
+Poni1: 0
+Poni2: 0
+Rot1: 0
+Rot2: 0
+Rot3: 0
+Wavelength: 1.54e-10
--- a/saxswaxs/integration.yaml	Tue Jun 20 11:35:00 2023 +0000
+++ b/saxswaxs/integration.yaml	Tue Jun 20 11:58:39 2023 +0000
@@ -1,15 +1,14 @@
 tool_type: integration
-title: saxs_azimuthal
+title: reduced_data
 integration_type: azimuthal
 detectors:
-- prefix: PIL5
-  poni_file: PIL5.poni
-  mask_file: PIL5.tif
-radial_units: q_A^-1
-radial_min: 0.0
-radial_max: 0.21821
+- prefix: det
+  poni_file: det.poni
+radial_units: q_nm^-1
+radial_min: 0.01372382
+radial_max: 5.47580553
 radial_npt: 200
 azimuthal_units: chi_deg
 azimuthal_min: -180.0
 azimuthal_max: 180.0
-azimuthal_npt: 180
+azimuthal_npt: 180
\ No newline at end of file
--- a/saxswaxs/map.yaml	Tue Jun 20 11:35:00 2023 +0000
+++ b/saxswaxs/map.yaml	Tue Jun 20 11:58:39 2023 +0000
@@ -2,22 +2,16 @@
 station: id3b
 experiment_type: SAXSWAXS
 sample:
-  name: sample_14_align
+  name: sample_name
 spec_scans:
-- spec_file: test_1d
-  scan_numbers:
-  - 1
+- spec_file: test_scans
+  scan_numbers: [1, 2, 3]
 independent_dimensions:
-- label: samx
+- label: mtr_0
   units: mm
   data_type: spec_motor
-  name: samx
-presample_intensity:
-  data_type: scan_column
-  name: ic3
-dwell_time_actual:
-  data_type: scan_column
-  name: sec_2
-postsample_intensity:
-  data_type: scan_column
-  name: diode
+  name: mtr_0
+- label: mtr_1
+  units: mm
+  data_type: spec_motor
+  name: mtr_1
--- a/saxswaxs/reduce.xml	Tue Jun 20 11:35:00 2023 +0000
+++ b/saxswaxs/reduce.xml	Tue Jun 20 11:58:39 2023 +0000
@@ -36,14 +36,5 @@
     ]]></help>
     <citations>
         <citation type="doi">10.5281/zenodo.7963532</citation>
-<!--         <citation type="bibtex"> -->
-<!-- @misc{githubChessAnalysisPipeline, -->
-<!--   author = {LastTODO, FirstTODO}, -->
-<!--   year = {TODO}, -->
-<!--   title = {CHAPSAXSWAXSdemo}, -->
-<!--   publisher = {GitHub}, -->
-<!--   journal = {GitHub repository}, -->
-<!--   url = {https://github.com/CHESSComputing/ChessAnalysisPipeline}, -->
-<!-- }</citation> -->
     </citations>
 </tool>
--- a/saxswaxs/test_1d	Tue Jun 20 11:35:00 2023 +0000
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,92 +0,0 @@
-#F sample_14_align
-#E 1637195555
-#D Wed Nov 17 19:32:35 2021
-#C spec  User = chess_id3b
-
-#O0 mono  monz  mchi  mony  monx  und_CL  s0s  s0n
-#O1 s0t  s0b  s0x  s0h  s0z  s0v  mirzu  mirzd
-#O2 mirbu  mirbd  xu  yu  zu  xd  zld  zrd
-#O3 fpx  att  mirz  mirth  s3b  s3t  s3s  s3n
-#O4 s3z  s3v  s3x  s3h  s1b  s1t  s1s  s1n
-#O5 s1z  s1v  s1x  s1h  fl1x  fl1z  fl2x  fl2z
-#O6 waxx  waxz1  waxz2  waxz  waxtilt  xmirx  xmirz  xmirphi
-#O7 xmirth  saxx  saxy  saxz  andy  andz  zl2  xl2
-#O8 yl2  yr2  zru2  zrd2  xd7  zd7  xu7  zu7
-#O9 bedx_lo  icvx  icvz  air_x  p3y  p3z  nozx  nozz
-#O10 bedx  bedx_galil  s2b  s2t  s2s  s2n  s2z  s2v
-#O11 s2x  s2h  xrfx  xrfy  xrfz  zd5  zru5  zlu5
-#O12 yd5  xd5  xu5  tabx5  zr6  zlu6  zld6  yr6
-#O13 yl6  xr6  th  tth  phi  vtxx  txr  tyr
-#O14 tzr  txt  tyt  tzt  txr2  tyr2  tzr2  txt2
-#O15 tyt2  tzt2  txr3  tyr3  tzr3  txt3  tyt3  tzt3
-#O16 txr4  tyr4  tzr4  txt4  tyt4  tzt4  txr5  tyr5
-#O17 tzr5  txt5  tyt5  tzt5  txr6  tyr6  tzr6  txt6
-#O18 tyt6  tzt6  txr7  tyr7  tzr7  txt7  tyt7  tzt7
-#O19 txr8  tyr8  tzr8  txt8  tyt8  tzt8  
-#o0 mono monz mchi mony monx und s0s s0n
-#o1 s0t s0b s0x s0h s0z s0v mirzu mirzd
-#o2 mirbu mirbd xu yu zu xd zld zrd
-#o3 fpx att mirz mirth s3b s3t s3s s3n
-#o4 s3z s3v s3x s3h s1b s1t s1s s1n
-#o5 s1z s1v s1x s1h fl1x fl1z fl2x fl2z
-#o6 waxx waxz1 waxz2 waxz waxtilt xmirx xmirz xmirphi
-#o7 xmirth saxx saxy saxz andy andz zl2 xl2
-#o8 yl2 yr2 zru2 zrd2 xd7 zd7 xu7 zu7
-#o9 bedx_lo icvx icvz air_x p3y p3z nozx nozz
-#o10 bedx bedx_g s2b s2t s2s s2n s2z s2v
-#o11 s2x s2h samx samy samz zd5 zru5 zlu5
-#o12 yd5 xd5 xu5 tabx5 zr6 zlu6 zld6 yr6
-#o13 yl6 xr6 th tth phi vtxx txr tyr
-#o14 tzr txt tyt tzt txr2 tyr2 tzr2 txt2
-#o15 tyt2 tzt2 txr3 tyr3 tzr3 txt3 tyt3 tabz
-#o16 txr4 tyr4 tzr4 txt4 tyt4 tzt4 txr5 tyr5
-#o17 tzr5 txt5 tyt5 tzt5 txr6 tyr6 tzr6 txt6
-#o18 tyt6 tzt6 txr7 tyr7 tzr7 crlx tyt7 crlz
-#o19 txr8 tyr8 tzr8 txt8 bedy bedz 
-#J0 Seconds  ic0_ni  keyz  icv_pos  icv_sum  tminus  sec_2  diode
-#J1 ic1  ic3  icv_lo  icv_hi  mot_pulse  p11_r1  
-#j0 sec ic0_ni keyz icv_pos icv_sum tminus sec_2 diode
-#j1 ic1 ic3 icv_lo icv_hi pulses p11_r1 
-
-
-#S 1  flyscan samx 140.9 141.5 10 0.1 
-#D Wed Nov 17 19:35:47 2021
-#T 12  (Seconds)
-#G0 0
-#G1 0
-#G3 0
-#G4 0
-#Q 
-#P0 -3.7830971 3.0011801 -0.22821594 -3.8 13.94 3.69 34.924802 35.874722
-#P1 20.129699 18.629511 35.399834 0.94995949 19.379555 1.5001232 9.3153197 6.2847224
-#P2 7.6113723e-07 -3.039743e-07 3.4829819 1.005207 -9.6873251 -4.7275845 -10.608966 -10.438151
-#P3 -10.972008 544.544 7.8 -3.4595 -0.004199987 0.34579999 1.76 2.1600002
-#P4 0.1708 0.35 1.96 0.4 -1.35 -0.85000006 -0.30000002 0.40000036
-#P5 -1.1 0.5 0.05 0.7 -1.5328934 -20.102657 -8.9922526 -3.4989075
-#P6 11.303603 27.619064 29.211176 28.415 0.796 -3.0517576e-08 0.058524542 3.516674e-09
-#P7 0.49999989 8 1 -6 170 5.1999999 -11.341377 -4.0548513
-#P8 0.91678883 0.91679319 -9.7110746 -7.5862294 1.1553852 -0.19508918 4.0468633 -0.2839906
-#P9 11.900876 0.13366788 2.9005861 -1.2465739 385.49999 70 -13.999995 9.9999998
-#P10 -4.3098231e-06 -174.51549 -1.2799991 -0.37999994 2.8299999 3.5300016 -0.83 0.9
-#P11 3.18 0.7 140.8975 26.999999 141.6 1.0000013 4.0000013 4.0000013
-#P12 6.8038999 -0.59999922 -0.59999922 292 -20.93269 -45.083693 -11.619761 4.6857093e-09
-#P13 1.5745194e-08 -8.0676912 8.5449218e-08 90 0 9.1661255e-07 -1.1665 0.3365
-#P14 11.4515 -0.4805 1.496 -10.1055 4.183 3.7555 0 -2.5
-#P15 -0.815 -9.995 -0.0065 -0.081 -9 14.9515 0.0045 -0.4
-#P16 9.228 -1.1635 -9.65 0.4 -4.3845 1.0185 -2.201 0
-#P17 0 -0.6 8.1215 2.5 55.4955 5.769 0 -4.1045
-#P18 -38.1255 -24.9045 0.234 0.234 7.609 1.2315 0.234 -0.1975
-#P19 -10.2505 -10.2505 -0.6675 -10.2505 0 0 
-#N 9
-#L xrfx  Seconds  sec_2  diode  ic1  ic3  icv_lo  icv_hi  mot_pulse  
-140.899995 0 0.302713 10898.0 14772.0 29927.0 93811.0 87169.0 0
-140.959995 0 0.100783 3615.0 4910.0 9950.0 30648.0 29072.0 0
-141.019995 0 0.099614 3592.0 4902.0 9951.0 30359.0 28781.0 0
-141.079995 0 0.099614 1264.0 4851.0 9819.0 30288.0 28727.0 0
-141.139995 0 0.099614 877.0 4709.0 9445.0 30411.0 28511.0 0
-141.199995 0 0.100398 631.0 4764.0 9537.0 30308.0 28751.0 0
-141.259995 0 0.100782 542.0 4804.0 9630.0 30359.0 28916.0 0
-141.319995 0 0.099614 625.0 4839.0 9743.0 30425.0 28762.0 0
-141.379995 0 0.099614 542.0 4787.0 9597.0 30298.0 28635.0 0
-141.439995 0 0.099614 665.0 4784.0 9599.0 30283.0 28662.0 0
-141.499995 0 0.146491 1248.0 6957.0 13906.0 44347.0 42023.0 0
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/saxswaxs/test_scans	Tue Jun 20 11:58:39 2023 +0000
@@ -0,0 +1,22 @@
+#F test_scans
+#E 1684937343
+#O0 mtr_0
+#o0 mtr_0
+#S 1 ascan mtr_1 -1 1 2 1
+#P0 -1
+#L  mtr_1  counter_0
+-1 0.5970827916509526
+0 0.8235129241022665
+1 0.5112369186482792
+#S 2 ascan mtr_1 -1 1 2 1
+#P0 0
+#L  mtr_1  counter_0
+-1 0.5993819559229079
+0 0.7377995537968701
+1 0.1865718135324972
+#S 3 ascan mtr_1 -1 1 2 1
+#P0 1
+#L  mtr_1  counter_0
+-1 0.9943311654787657
+0 0.07937636730740139
+1 0.021956904524402576
\ No newline at end of file
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