Repository 'cardinal_segmentations'
hg clone https://toolshed.g2.bx.psu.edu/repos/galaxyp/cardinal_segmentations

Changeset 15:653ad2b367f2 (2022-02-22)
Previous changeset 14:5279bc051339 (2021-08-29) Next changeset 16:df2187f9013b (2023-04-19)
Commit message:
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/cardinal commit badc51fcd74ba0c14cd1ae64d5f524291fa11441"
modified:
macros.xml
added:
test-data/DGMM_annotations.tabular
test-data/coloc1.pdf
test-data/coloc2.pdf
test-data/coloc3.pdf
test-data/coloc_table1.tabular
test-data/coloc_table2.tabular
test-data/coloc_table3.tabular
test-data/dgmm_summary1.tabular
test-data/dgmm_summary2.tabular
test-data/dgmm_test1.pdf
test-data/dgmm_test2.RData
test-data/dgmm_test2.pdf
test-data/estimates_r1_k6_mz1135.93347167969.tabular
test-data/estimates_r2_k10_mz1200.46533203125.tabular
test-data/probability_r1_k6_mz1023.70806884766.tabular
test-data/probability_r2_k10_mz1135.93347167969.tabular
test-data/spatial_DGMM_input.ibd
test-data/spatial_DGMM_input.imzML
b
diff -r 5279bc051339 -r 653ad2b367f2 macros.xml
--- a/macros.xml Sun Aug 29 07:34:14 2021 +0000
+++ b/macros.xml Tue Feb 22 20:43:15 2022 +0000
[
@@ -178,7 +178,7 @@
 
         - MSI data: 3 types of input data can be used:
 
-            - imzml file (upload imzml and ibd file via the "composite" function) `Introduction to the imzml format <https://ms-imaging.org/wp/imzml/>`_
+            - imzml file (upload imzml and ibd file via the "composite" function) `Introduction to the imzml format <https://ms-imaging.org/imzml/>`_
             - Analyze7.5 (upload hdr, img and t2m file via the "composite" function)
             - Cardinal "MSImageSet" or "MSImagingExperiment" saved as .RData
     ]]></token>
@@ -219,21 +219,21 @@
 
     ]]></token>
     <token name="@SPECTRA_TABULAR_INPUT_DESCRIPTION@"><![CDATA[
-        - Optional file with pixel coordinates and annotation: 
+        - Optional file with pixel coordinates and annotation:
 
             - Tabular file: One column with x values, one column with y values and one column with annotations
             - The file is allowed to have any column names as header (in this case set "Tabular file contains a header line" to yes)
             - Pixel with coordinates outside the coordinates of the input file are ignored
 
+
                 ::
-
+                
                       x_coord     y_coord    annotation
                         1            1        healthy
                         2            1        healthy
                         3            1        disease
                         ...
                         ...
-
     ]]></token>
 
     <xml name="reading_msidata">
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/DGMM_annotations.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/DGMM_annotations.tabular Tue Feb 22 20:43:15 2022 +0000
b
@@ -0,0 +1,401 @@
+x y design
+1 1 bg
+2 1 bg
+3 1 circle
+4 1 circle
+5 1 circle
+6 1 circle
+7 1 bg
+8 1 bg
+9 1 bg
+10 1 bg
+11 1 bg
+12 1 bg
+13 1 bg
+14 1 bg
+15 1 bg
+16 1 bg
+17 1 bg
+18 1 bg
+19 1 bg
+20 1 bg
+1 2 circle
+2 2 circle
+3 2 circle
+4 2 circle
+5 2 circle
+6 2 circle
+7 2 circle
+8 2 circle
+9 2 bg
+10 2 bg
+11 2 bg
+12 2 bg
+13 2 bg
+14 2 bg
+15 2 bg
+16 2 bg
+17 2 bg
+18 2 bg
+19 2 bg
+20 2 bg
+1 3 circle
+2 3 circle
+3 3 circle
+4 3 circle
+5 3 circle
+6 3 circle
+7 3 circle
+8 3 circle
+9 3 circle
+10 3 bg
+11 3 bg
+12 3 bg
+13 3 bg
+14 3 bg
+15 3 bg
+16 3 bg
+17 3 bg
+18 3 bg
+19 3 bg
+20 3 bg
+1 4 circle
+2 4 circle
+3 4 circle
+4 4 circle
+5 4 circle
+6 4 circle
+7 4 circle
+8 4 circle
+9 4 circle
+10 4 bg
+11 4 bg
+12 4 bg
+13 4 bg
+14 4 bg
+15 4 bg
+16 4 bg
+17 4 bg
+18 4 bg
+19 4 bg
+20 4 bg
+1 5 circle
+2 5 circle
+3 5 circle
+4 5 circle
+5 5 circle
+6 5 circle
+7 5 circle
+8 5 circle
+9 5 circle
+10 5 bg
+11 5 bg
+12 5 bg
+13 5 bg
+14 5 bg
+15 5 bg
+16 5 bg
+17 5 bg
+18 5 bg
+19 5 bg
+20 5 bg
+1 6 circle
+2 6 circle
+3 6 circle
+4 6 circle
+5 6 circle
+6 6 circle
+7 6 circle
+8 6 circle
+9 6 circle
+10 6 circle
+11 6 bg
+12 6 bg
+13 6 bg
+14 6 bg
+15 6 bg
+16 6 bg
+17 6 bg
+18 6 bg
+19 6 bg
+20 6 bg
+1 7 circle
+2 7 circle
+3 7 circle
+4 7 circle
+5 7 circle
+6 7 circle
+7 7 circle
+8 7 circle
+9 7 circle
+10 7 circle
+11 7 bg
+12 7 bg
+13 7 bg
+14 7 bg
+15 7 bg
+16 7 bg
+17 7 bg
+18 7 bg
+19 7 bg
+20 7 bg
+1 8 circle
+2 8 circle
+3 8 circle
+4 8 circle
+5 8 circle
+6 8 circle
+7 8 circle
+8 8 circle
+9 8 circle
+10 8 bg
+11 8 bg
+12 8 bg
+13 8 bg
+14 8 bg
+15 8 bg
+16 8 bg
+17 8 bg
+18 8 bg
+19 8 bg
+20 8 bg
+1 9 circle
+2 9 circle
+3 9 circle
+4 9 circle
+5 9 circle
+6 9 circle
+7 9 circle
+8 9 circle
+9 9 circle
+10 9 bg
+11 9 bg
+12 9 bg
+13 9 bg
+14 9 bg
+15 9 bg
+16 9 bg
+17 9 bg
+18 9 bg
+19 9 bg
+20 9 bg
+1 10 circle
+2 10 circle
+3 10 circle
+4 10 circle
+5 10 circle
+6 10 circle
+7 10 circle
+8 10 circle
+9 10 bg
+10 10 bg
+11 10 bg
+12 10 bg
+13 10 bg
+14 10 bg
+15 10 bg
+16 10 bg
+17 10 bg
+18 10 bg
+19 10 bg
+20 10 bg
+1 11 bg
+2 11 circle
+3 11 circle
+4 11 circle
+5 11 circle
+6 11 circle
+7 11 circle
+8 11 square
+9 11 square
+10 11 square
+11 11 square
+12 11 square
+13 11 square
+14 11 square
+15 11 square
+16 11 square
+17 11 square
+18 11 square
+19 11 square
+20 11 square
+1 12 bg
+2 12 bg
+3 12 bg
+4 12 bg
+5 12 bg
+6 12 bg
+7 12 bg
+8 12 square
+9 12 square
+10 12 square
+11 12 square
+12 12 square
+13 12 square
+14 12 square
+15 12 square
+16 12 square
+17 12 square
+18 12 square
+19 12 square
+20 12 square
+1 13 bg
+2 13 bg
+3 13 bg
+4 13 bg
+5 13 bg
+6 13 bg
+7 13 bg
+8 13 square
+9 13 square
+10 13 square
+11 13 square
+12 13 square
+13 13 square
+14 13 square
+15 13 square
+16 13 square
+17 13 square
+18 13 square
+19 13 square
+20 13 square
+1 14 bg
+2 14 bg
+3 14 bg
+4 14 bg
+5 14 bg
+6 14 bg
+7 14 bg
+8 14 square
+9 14 square
+10 14 square
+11 14 square
+12 14 square
+13 14 square
+14 14 square
+15 14 square
+16 14 square
+17 14 square
+18 14 square
+19 14 square
+20 14 square
+1 15 bg
+2 15 bg
+3 15 bg
+4 15 bg
+5 15 bg
+6 15 bg
+7 15 bg
+8 15 square
+9 15 square
+10 15 square
+11 15 square
+12 15 square
+13 15 square
+14 15 square
+15 15 square
+16 15 square
+17 15 square
+18 15 square
+19 15 square
+20 15 square
+1 16 bg
+2 16 bg
+3 16 bg
+4 16 bg
+5 16 bg
+6 16 bg
+7 16 bg
+8 16 square
+9 16 square
+10 16 square
+11 16 square
+12 16 square
+13 16 square
+14 16 square
+15 16 square
+16 16 square
+17 16 square
+18 16 square
+19 16 square
+20 16 square
+1 17 bg
+2 17 bg
+3 17 bg
+4 17 bg
+5 17 bg
+6 17 bg
+7 17 bg
+8 17 square
+9 17 square
+10 17 square
+11 17 square
+12 17 square
+13 17 square
+14 17 square
+15 17 square
+16 17 square
+17 17 square
+18 17 square
+19 17 square
+20 17 square
+1 18 bg
+2 18 bg
+3 18 bg
+4 18 bg
+5 18 bg
+6 18 bg
+7 18 bg
+8 18 square
+9 18 square
+10 18 square
+11 18 square
+12 18 square
+13 18 square
+14 18 square
+15 18 square
+16 18 square
+17 18 square
+18 18 square
+19 18 square
+20 18 square
+1 19 bg
+2 19 bg
+3 19 bg
+4 19 bg
+5 19 bg
+6 19 bg
+7 19 bg
+8 19 square
+9 19 square
+10 19 square
+11 19 square
+12 19 square
+13 19 square
+14 19 square
+15 19 square
+16 19 square
+17 19 square
+18 19 square
+19 19 square
+20 19 square
+1 20 bg
+2 20 bg
+3 20 bg
+4 20 bg
+5 20 bg
+6 20 bg
+7 20 bg
+8 20 square
+9 20 square
+10 20 square
+11 20 square
+12 20 square
+13 20 square
+14 20 square
+15 20 square
+16 20 square
+17 20 square
+18 20 square
+19 20 square
+20 20 square
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/coloc1.pdf
b
Binary file test-data/coloc1.pdf has changed
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/coloc2.pdf
b
Binary file test-data/coloc2.pdf has changed
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/coloc3.pdf
b
Binary file test-data/coloc3.pdf has changed
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/coloc_table1.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/coloc_table1.tabular Tue Feb 22 20:43:15 2022 +0000
b
@@ -0,0 +1,11 @@
+mz correlation M1 M2
+1023.70806884766 1 1 1
+1135.93347167969 0.94302593356566 0.875 0.875
+1200.46533203125 0.929209321928257 0.865 0.865
+1361.26818847656 0.671211137378556 0.71 0.71
+1227.93798828125 0.667168853181017 0.675 0.675
+1453.50952148438 0.665731065791311 0.695 0.695
+1858.89855957031 0.662094302798731 0.705 0.705
+781.236755371094 0.389123692250897 0.65 0.65
+473.920562744141 0.363240913030914 0.6 0.6
+788.86328125 0.337801573243261 0.605 0.605
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/coloc_table2.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/coloc_table2.tabular Tue Feb 22 20:43:15 2022 +0000
b
@@ -0,0 +1,6 @@
+mz correlation M1 M2
+473.920562744141 0.894244530237853 1 0.455
+788.86328125 0.767668409422198 1 0.455
+781.236755371094 0.702693174822292 0.989010989010989 0.45
+1135.93347167969 0.41173637823825 0.846153846153846 0.385
+1023.70806884766 0.332982169243747 0.791208791208791 0.36
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/coloc_table3.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/coloc_table3.tabular Tue Feb 22 20:43:15 2022 +0000
b
@@ -0,0 +1,51 @@
+mz correlation M1 M2
+100.583335876465 1 1 1
+100.666664123535 1 1 1
+100.75 1 1 1
+101.416664123535 1 1 1
+101.916664123535 1 1 1
+102 1 1 1
+102.416664123535 1 1 1
+103 1 1 1
+103.083335876465 1 1 1
+103.5 1 1 1
+103.583335876465 1 1 1
+104.083335876465 1 1 1
+104.583335876465 1 1 1
+104.666664123535 1 1 1
+105.166664123535 1 1 1
+113.5 1 1 0.4
+114.583335876465 1 1 0.666666666666667
+114.666664123535 1 1 0.666666666666667
+119.166664123535 1 1 1
+121.666664123535 1 1 1
+122.166664123535 1 1 1
+122.25 1 1 1
+127.083335876465 1 1 0.666666666666667
+127.166664123535 1 1 0.333333333333333
+127.25 1 1 0.333333333333333
+127.333335876465 1 1 0.4
+127.666664123535 1 1 0.666666666666667
+127.75 1 1 0.333333333333333
+128.25 1 1 0.333333333333333
+128.33332824707 1 1 0.333333333333333
+128.41667175293 1 1 0.4
+134.91667175293 1 1 0.5
+135.58332824707 1 1 0.5
+136.08332824707 1 1 0.5
+138.5 1 1 0.666666666666667
+166.33332824707 1 1 0.4
+166.83332824707 1 1 0.666666666666667
+166.91667175293 1 1 0.5
+167.41667175293 1 1 0.666666666666667
+167.83332824707 1 1 0.333333333333333
+167.91667175293 1 1 0.666666666666667
+168 1 1 1
+168.08332824707 1 1 1
+168.41667175293 1 1 0.5
+168.5 1 1 0.666666666666667
+168.58332824707 1 1 1
+169 1 1 0.666666666666667
+169.08332824707 1 1 1
+169.16667175293 1 1 1
+169.58332824707 1 1 0.666666666666667
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/dgmm_summary1.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/dgmm_summary1.tabular Tue Feb 22 20:43:15 2022 +0000
b
@@ -0,0 +1,11 @@
+r k Classes/group m/z Feature
+1 6 2 473.920562744141 1
+1 6 4 781.236755371094 2
+1 6 1 788.86328125 3
+1 6 3 1023.70806884766 4
+1 6 3 1135.93347167969 5
+1 6 4 1200.46533203125 6
+1 6 2 1227.93798828125 7
+1 6 2 1361.26818847656 8
+1 6 2 1453.50952148438 9
+1 6 2 1858.89855957031 10
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/dgmm_summary2.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/dgmm_summary2.tabular Tue Feb 22 20:43:15 2022 +0000
b
@@ -0,0 +1,11 @@
+r k Classes/group m/z Feature
+2 10 1 473.920562744141 1
+2 10 2 781.236755371094 2
+2 10 1 788.86328125 3
+2 10 1.67 1023.70806884766 4
+2 10 1.67 1135.93347167969 5
+2 10 1.67 1200.46533203125 6
+2 10 1 1227.93798828125 7
+2 10 1.67 1361.26818847656 8
+2 10 1 1453.50952148438 9
+2 10 1.33 1858.89855957031 10
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/dgmm_test1.pdf
b
Binary file test-data/dgmm_test1.pdf has changed
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/dgmm_test2.RData
b
Binary file test-data/dgmm_test2.RData has changed
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/dgmm_test2.pdf
b
Binary file test-data/dgmm_test2.pdf has changed
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/estimates_r1_k6_mz1135.93347167969.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/estimates_r1_k6_mz1135.93347167969.tabular Tue Feb 22 20:43:15 2022 +0000
b
@@ -0,0 +1,4 @@
+group class mean var
+files_ 1 0.172268980321456 0.133976695047921
+files_ 2 4.88607208725277 0.301220362077463
+files_ 3 6.64940193494161 0.752878508867188
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/estimates_r2_k10_mz1200.46533203125.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/estimates_r2_k10_mz1200.46533203125.tabular Tue Feb 22 20:43:15 2022 +0000
b
@@ -0,0 +1,6 @@
+group class mean var
+bg 1 0.216553505243044 0.158967083338173
+bg 2 4.13395686852547 0.859771560896229
+circle 3 3.16694802842791 0.372813860593546
+circle 4 4.48944198265987 1.71739690046886
+square 5 3.8928901507304 1.21620428871296
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/probability_r1_k6_mz1023.70806884766.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/probability_r1_k6_mz1023.70806884766.tabular Tue Feb 22 20:43:15 2022 +0000
b
b'@@ -0,0 +1,401 @@\n+x\ty\tpixel_names\tclass\tX1\tX2\tX3\n+1\t1\txy_1_1\t3\t0.0917647853727095\t0.0922578863762729\t0.815977328251018\n+2\t1\txy_2_1\t2\t0.100600898069221\t0.796592711289945\t0.102806390640834\n+3\t1\txy_3_1\t2\t0.0667865935968222\t0.862320681023267\t0.070892725379911\n+4\t1\txy_4_1\t2\t0.0989488158618163\t0.800884528474502\t0.100166655663682\n+5\t1\txy_5_1\t2\t0.0799636103030095\t0.838443782101855\t0.0815926075951352\n+6\t1\txy_6_1\t2\t0.0759173557100512\t0.84637410749561\t0.0777085367943388\n+7\t1\txy_7_1\t2\t0.0834313744936965\t0.831348154231328\t0.0852204712749755\n+8\t1\txy_8_1\t1\t0.882194666445594\t0.0589026668387033\t0.0589026667157024\n+9\t1\txy_9_1\t1\t0.508654850424931\t0.245680248523029\t0.245664901052041\n+10\t1\txy_10_1\t1\t0.900393171884896\t0.0498034140752459\t0.0498034140398578\n+11\t1\txy_11_1\t1\t0.902126529015311\t0.0489367355069679\t0.0489367354777208\n+12\t1\txy_12_1\t1\t0.902579224334508\t0.048710387853706\t0.0487103878117857\n+13\t1\txy_13_1\t1\t0.90367693551051\t0.0481615322610204\t0.0481615322284697\n+14\t1\txy_14_1\t1\t0.910220787783621\t0.0448896061367734\t0.0448896060796057\n+15\t1\txy_15_1\t1\t0.914264421208645\t0.0428677894818022\t0.0428677893095529\n+16\t1\txy_16_1\t1\t0.902299530246567\t0.0488502348910334\t0.0488502348623992\n+17\t1\txy_17_1\t1\t0.91438095830872\t0.0428095210429658\t0.0428095206483141\n+18\t1\txy_18_1\t1\t0.86965703861106\t0.0651714899324875\t0.0651714714564528\n+19\t1\txy_19_1\t1\t0.914391215329777\t0.0428043924181907\t0.0428043922520326\n+20\t1\txy_20_1\t1\t0.901958380226524\t0.0490208099016594\t0.0490208098718167\n+1\t2\txy_1_2\t3\t0.116318148103275\t0.176392372066194\t0.70728947983053\n+2\t2\txy_2_2\t2\t0.123338375854007\t0.549106377317356\t0.327555246828637\n+3\t2\txy_3_2\t3\t0.134579979985956\t0.341119648223749\t0.524300371790295\n+4\t2\txy_4_2\t2\t0.0838378594767496\t0.794100545607835\t0.122061594915415\n+5\t2\txy_5_2\t2\t0.0700322328721887\t0.847048535383228\t0.0829192317445829\n+6\t2\txy_6_2\t2\t0.10571548893396\t0.786723740682465\t0.107560770383575\n+7\t2\txy_7_2\t2\t0.120654297668623\t0.757639098250182\t0.121706604081195\n+8\t2\txy_8_2\t2\t0.0745041101722362\t0.838850047275982\t0.0866458425517821\n+9\t2\txy_9_2\t1\t0.885646212670759\t0.0571768937198632\t0.0571768936093778\n+10\t2\txy_10_2\t1\t0.901918219379856\t0.0490408903250647\t0.0490408902950796\n+11\t2\txy_11_2\t1\t0.911851747877081\t0.0440741261503712\t0.0440741259725482\n+12\t2\txy_12_2\t1\t0.458188446483415\t0.270920654766878\t0.270890898749708\n+13\t2\txy_13_2\t1\t0.901092260265631\t0.0494538698836403\t0.0494538698507288\n+14\t2\txy_14_2\t1\t0.908271043095531\t0.0458644790803883\t0.0458644778240806\n+15\t2\txy_15_2\t1\t0.818239574229709\t0.0908802634162467\t0.0908801623540444\n+16\t2\txy_16_2\t1\t0.900670043902778\t0.0496649780658142\t0.0496649780314072\n+17\t2\txy_17_2\t1\t0.914715247493364\t0.0426423764314419\t0.0426423760751942\n+18\t2\txy_18_2\t1\t0.910017175529711\t0.0449914127350249\t0.0449914117352645\n+19\t2\txy_19_2\t1\t0.906032199565997\t0.0469839002403685\t0.0469839001936342\n+20\t2\txy_20_2\t1\t0.857081637302068\t0.071459196922199\t0.0714591657757334\n+1\t3\txy_1_3\t3\t0.126204708631798\t0.245175640430091\t0.62861965093811\n+2\t3\txy_2_3\t3\t0.130418313462894\t0.294933049458422\t0.574648637078684\n+3\t3\txy_3_3\t3\t0.131282329544912\t0.368098851058401\t0.500618819396688\n+4\t3\txy_4_3\t3\t0.106831148359284\t0.1294053131308\t0.763763538509917\n+5\t3\txy_5_3\t3\t0.0925246507063288\t0.0952944115907079\t0.812180937702963\n+6\t3\txy_6_3\t3\t0.113160965188836\t0.161728539920457\t0.725110494890707\n+7\t3\txy_7_3\t2\t0.103237414255951\t0.692531301852543\t0.204231283891506\n+8\t3\txy_8_3\t2\t0.117149966742924\t0.764615706627007\t0.118234326630069\n+9\t3\txy_9_3\t2\t0.0730270066859421\t0.845127819894521\t0.0818451734195372\n+10\t3\txy_10_3\t1\t0.890832828276991\t0.0545835859011135\t0.0545835858218956\n+11\t3\txy_11_3\t1\t0.744907732236447\t0.12754642407129\t0.127545843692263\n+12\t3\txy_12_3\t1\t0.907892806571312\t0.0460535973638291\t0.0460535960648594\n+13\t3\txy_13_3\t1\t0.915221334831678\t0.0423893327019348\t0.0423893324663876\n+14\t3\txy_14_3\t1\t0.90829104105614\t0.0458544794945152\t0.0458544794493445\n+15\t3\txy_15_3\t1\t0.911037209786342\t0.0444813951710636\t0.0444813950425943\n+16\t3\txy_16_3\t1\t0.649962029956908\t0.175020140294995\t0.175017829748097\n+17\t3\txy_17_3\t1\t0.909'..b'864\t0.051331338167388\t0.051331334270748\n+6\t18\txy_6_18\t1\t0.913595825132683\t0.043202087485663\t0.0432020873816538\n+7\t18\txy_7_18\t1\t0.900482579612715\t0.0497587102085274\t0.0497587101787579\n+8\t18\txy_8_18\t3\t0.100661041994822\t0.111777563988889\t0.787561394016289\n+9\t18\txy_9_18\t3\t0.218805275715056\t0.218805814360147\t0.562388909924797\n+10\t18\txy_10_18\t3\t0.0943380904983484\t0.101611864235734\t0.804050045265918\n+11\t18\txy_11_18\t2\t0.0879255129068374\t0.773459063424058\t0.138615423669105\n+12\t18\txy_12_18\t2\t0.0723809493986483\t0.838214639188581\t0.0894044114127705\n+13\t18\txy_13_18\t2\t0.0998705966838915\t0.748324194216089\t0.151805209100019\n+14\t18\txy_14_18\t2\t0.0887680597806246\t0.772922749654353\t0.138309190565022\n+15\t18\txy_15_18\t2\t0.127365521128288\t0.591426199171917\t0.281208279699795\n+16\t18\txy_16_18\t2\t0.0716809935219588\t0.846869789245559\t0.0814492172324823\n+17\t18\txy_17_18\t3\t0.0992944832459503\t0.100000279339447\t0.800705237414603\n+18\t18\txy_18_18\t3\t0.149160275039719\t0.149173129832998\t0.701666595127284\n+19\t18\txy_19_18\t3\t0.124044529514264\t0.214509603001992\t0.661445867483744\n+20\t18\txy_20_18\t3\t0.298206353880715\t0.298206365979432\t0.403587280139853\n+1\t19\txy_1_19\t1\t0.901467068768052\t0.0492664656317658\t0.0492664656001824\n+2\t19\txy_2_19\t1\t0.910472874342532\t0.0447635629467508\t0.0447635627107167\n+3\t19\txy_3_19\t2\t0.319097788681865\t0.361652569315614\t0.319249642002521\n+4\t19\txy_4_19\t1\t0.853337611696352\t0.0733312150363963\t0.0733311732672519\n+5\t19\txy_5_19\t1\t0.476130218521133\t0.261945618707894\t0.261924162770974\n+6\t19\txy_6_19\t1\t0.900661345681064\t0.0496693271766869\t0.0496693271422489\n+7\t19\txy_7_19\t1\t0.9004538967094\t0.0497730516611383\t0.0497730516294619\n+8\t19\txy_8_19\t3\t0.184998192839756\t0.18500149883232\t0.630000308327925\n+9\t19\txy_9_19\t2\t0.101366660241051\t0.703689287536771\t0.194944052222178\n+10\t19\txy_10_19\t2\t0.127983226929513\t0.439518299555569\t0.432498473514919\n+11\t19\txy_11_19\t3\t0.116695681449869\t0.175222949789748\t0.708081368760382\n+12\t19\txy_12_19\t2\t0.126464999826248\t0.469868960215139\t0.403666039958612\n+13\t19\txy_13_19\t2\t0.0834949820140702\t0.793222654862791\t0.123282363123139\n+14\t19\txy_14_19\t3\t0.0975704229291543\t0.103922066804347\t0.798507510266499\n+15\t19\txy_15_19\t2\t0.0752794747324414\t0.833050450952555\t0.0916700743150031\n+16\t19\txy_16_19\t3\t0.112011523712363\t0.156434393516434\t0.731554082771203\n+17\t19\txy_17_19\t3\t0.124074562068715\t0.216954741947342\t0.658970695983943\n+18\t19\txy_18_19\t3\t0.327036346426534\t0.327036346443892\t0.345927307129575\n+19\t19\txy_19_19\t3\t0.119654523583967\t0.191899636986857\t0.688445839429176\n+20\t19\txy_20_19\t2\t0.120437555845443\t0.558842981535804\t0.320719462618753\n+1\t20\txy_1_20\t1\t0.859659383600228\t0.0701703229501636\t0.0701702934496088\n+2\t20\txy_2_20\t1\t0.61095369217908\t0.194525266271828\t0.194521041549092\n+3\t20\txy_3_20\t1\t0.895924101065721\t0.0520379494930225\t0.0520379494412562\n+4\t20\txy_4_20\t1\t0.913550485426305\t0.0432247573725399\t0.0432247572011546\n+5\t20\txy_5_20\t1\t0.901332644074553\t0.049333677982666\t0.0493336779427807\n+6\t20\txy_6_20\t1\t0.898484216329085\t0.0507578935125244\t0.0507578901583903\n+7\t20\txy_7_20\t1\t0.911108148117435\t0.0444459259995828\t0.0444459258829826\n+8\t20\txy_8_20\t3\t0.0979950762955691\t0.108117839198438\t0.793887084505993\n+9\t20\txy_9_20\t3\t0.0993699095116269\t0.11629098029036\t0.784339110198013\n+10\t20\txy_10_20\t3\t0.0864978548491614\t0.0891226350383335\t0.824379510112505\n+11\t20\txy_11_20\t3\t0.0848150701337741\t0.0855288027656947\t0.829656127100531\n+12\t20\txy_12_20\t3\t0.091615410020144\t0.0988675607035835\t0.809517029276273\n+13\t20\txy_13_20\t3\t0.0972624365126445\t0.111199648890651\t0.791537914596704\n+14\t20\txy_14_20\t3\t0.0958719000403978\t0.107502736786978\t0.796625363172624\n+15\t20\txy_15_20\t3\t0.0896261651696165\t0.0944402457726828\t0.815933589057701\n+16\t20\txy_16_20\t3\t0.0857045215447479\t0.0861953636303524\t0.8281001148249\n+17\t20\txy_17_20\t3\t0.101389342447365\t0.10146607633283\t0.797144581219806\n+18\t20\txy_18_20\t3\t0.162944365129731\t0.162948264159431\t0.674107370710838\n+19\t20\txy_19_20\t3\t0.11213452896389\t0.112173432312576\t0.775692038723534\n+20\t20\txy_20_20\t3\t0.0915275910703783\t0.0961831985338147\t0.812289210395807\n'
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/probability_r2_k10_mz1135.93347167969.tabular
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/probability_r2_k10_mz1135.93347167969.tabular Tue Feb 22 20:43:15 2022 +0000
b
b'@@ -0,0 +1,401 @@\n+x\ty\tpixel_names\tclass\tX1\tX2\tX3\tX4\tX5\n+1\t1\txy_1_1\t2\t0.103020335449098\t0.896979664550903\tNA\tNA\tNA\n+2\t1\txy_2_1\t2\t0.105473181113881\t0.894526818886119\tNA\tNA\tNA\n+3\t1\txy_3_1\t3\tNA\tNA\t0.875615363102476\t0.124384636897524\tNA\n+4\t1\txy_4_1\t3\tNA\tNA\t0.851266299854111\t0.148733700145889\tNA\n+5\t1\txy_5_1\t3\tNA\tNA\t0.860051638085976\t0.139948361914025\tNA\n+6\t1\txy_6_1\t3\tNA\tNA\t0.761647436676139\t0.238352563323861\tNA\n+7\t1\txy_7_1\t2\t0.182529426057793\t0.817470573942208\tNA\tNA\tNA\n+8\t1\txy_8_1\t1\t0.941039895576799\t0.0589601044232009\tNA\tNA\tNA\n+9\t1\txy_9_1\t1\t0.943908265739545\t0.0560917342604552\tNA\tNA\tNA\n+10\t1\txy_10_1\t1\t0.946144146674231\t0.0538558533257694\tNA\tNA\tNA\n+11\t1\txy_11_1\t1\t0.946407758474576\t0.0535922415254241\tNA\tNA\tNA\n+12\t1\txy_12_1\t1\t0.954188476238198\t0.0458115237618019\tNA\tNA\tNA\n+13\t1\txy_13_1\t1\t0.946620679361554\t0.0533793206384464\tNA\tNA\tNA\n+14\t1\txy_14_1\t1\t0.946383603328925\t0.0536163966710746\tNA\tNA\tNA\n+15\t1\txy_15_1\t1\t0.954534262297142\t0.0454657377028575\tNA\tNA\tNA\n+16\t1\txy_16_1\t1\t0.946937989073607\t0.053062010926393\tNA\tNA\tNA\n+17\t1\txy_17_1\t1\t0.947433161876214\t0.0525668381237858\tNA\tNA\tNA\n+18\t1\txy_18_1\t1\t0.947739055467613\t0.0522609445323874\tNA\tNA\tNA\n+19\t1\txy_19_1\t1\t0.947751293668412\t0.0522487063315876\tNA\tNA\tNA\n+20\t1\txy_20_1\t1\t0.952255848236646\t0.0477441517633543\tNA\tNA\tNA\n+1\t2\txy_1_2\t3\tNA\tNA\t0.859206228983602\t0.140793771016398\tNA\n+2\t2\txy_2_2\t3\tNA\tNA\t0.868966809797105\t0.131033190202895\tNA\n+3\t2\txy_3_2\t3\tNA\tNA\t0.875160479466722\t0.124839520533278\tNA\n+4\t2\txy_4_2\t3\tNA\tNA\t0.804220530331249\t0.195779469668752\tNA\n+5\t2\txy_5_2\t3\tNA\tNA\t0.794510153832606\t0.205489846167394\tNA\n+6\t2\txy_6_2\t3\tNA\tNA\t0.856628649807154\t0.143371350192846\tNA\n+7\t2\txy_7_2\t3\tNA\tNA\t0.855718253316932\t0.144281746683068\tNA\n+8\t2\txy_8_2\t3\tNA\tNA\t0.827753889743415\t0.172246110256585\tNA\n+9\t2\txy_9_2\t1\t0.946284298320806\t0.0537157016791942\tNA\tNA\tNA\n+10\t2\txy_10_2\t1\t0.769374657306886\t0.230625342693115\tNA\tNA\tNA\n+11\t2\txy_11_2\t1\t0.945090766923877\t0.0549092330761232\tNA\tNA\tNA\n+12\t2\txy_12_2\t1\t0.945737335422033\t0.054262664577967\tNA\tNA\tNA\n+13\t2\txy_13_2\t1\t0.945600558567459\t0.0543994414325411\tNA\tNA\tNA\n+14\t2\txy_14_2\t1\t0.950847256021339\t0.0491527439786609\tNA\tNA\tNA\n+15\t2\txy_15_2\t1\t0.945219115579397\t0.0547808844206027\tNA\tNA\tNA\n+16\t2\txy_16_2\t1\t0.94620821674802\t0.0537917832519801\tNA\tNA\tNA\n+17\t2\txy_17_2\t1\t0.953530272335786\t0.0464697276642139\tNA\tNA\tNA\n+18\t2\txy_18_2\t1\t0.951570612821144\t0.0484293871788565\tNA\tNA\tNA\n+19\t2\txy_19_2\t1\t0.955821461571265\t0.0441785384287349\tNA\tNA\tNA\n+20\t2\txy_20_2\t1\t0.947743776276186\t0.0522562237238136\tNA\tNA\tNA\n+1\t3\txy_1_3\t3\tNA\tNA\t0.835481115700174\t0.164518884299826\tNA\n+2\t3\txy_2_3\t3\tNA\tNA\t0.695409629420474\t0.304590370579526\tNA\n+3\t3\txy_3_3\t3\tNA\tNA\t0.876462568112197\t0.123537431887803\tNA\n+4\t3\txy_4_3\t3\tNA\tNA\t0.85082264789337\t0.14917735210663\tNA\n+5\t3\txy_5_3\t3\tNA\tNA\t0.878890510088586\t0.121109489911414\tNA\n+6\t3\txy_6_3\t3\tNA\tNA\t0.870311243843917\t0.129688756156083\tNA\n+7\t3\txy_7_3\t3\tNA\tNA\t0.87300813797666\t0.12699186202334\tNA\n+8\t3\txy_8_3\t3\tNA\tNA\t0.811661586530175\t0.188338413469825\tNA\n+9\t3\txy_9_3\t3\tNA\tNA\t0.856157399446096\t0.143842600553904\tNA\n+10\t3\txy_10_3\t1\t0.865627377090542\t0.134372622909458\tNA\tNA\tNA\n+11\t3\txy_11_3\t1\t0.94682656889567\t0.0531734311043297\tNA\tNA\tNA\n+12\t3\txy_12_3\t1\t0.893467278448154\t0.106532721551846\tNA\tNA\tNA\n+13\t3\txy_13_3\t1\t0.664961582397203\t0.335038417602797\tNA\tNA\tNA\n+14\t3\txy_14_3\t1\t0.944081001351204\t0.0559189986487956\tNA\tNA\tNA\n+15\t3\txy_15_3\t2\t0.490705121594534\t0.509294878405466\tNA\tNA\tNA\n+16\t3\txy_16_3\t1\t0.945709649905103\t0.054290350094897\tNA\tNA\tNA\n+17\t3\txy_17_3\t1\t0.954438913225744\t0.0455610867742563\tNA\tNA\tNA\n+18\t3\txy_18_3\t1\t0.947733594972515\t0.0522664050274855\tNA\tNA\tNA\n+19\t3\txy_19_3\t1\t0.940190235235463\t0.0598097647645374\tNA\tNA\tNA\n+20\t3\txy_20_3\t1\t0.947744927295705\t0.0522550727042953\tNA\tNA\tNA\n+1\t4\txy_1_4\t3\tNA\tNA\t0.859290347356755\t0.140709652643245\tNA\n+2\t4\txy_2_4\t3\tNA\tNA\t0.848944520847906\t0.151055479152094\tNA\n+3\t4\txy_3_4\t3\tNA\tNA\t0.862233623147597\t0.137766376852403\tNA\n+4\t4\txy_4_4\t3\tNA\tNA\t0.877889844474806\t0.122110155525194\tNA\n+5\t4\txy_5_4\t3\tNA\tNA\t0.832791852661168\t0.167208147338832\tNA\n+6\t4\txy_6_4\t3\tNA\tNA\t'..b'.045796301530611\tNA\tNA\tNA\n+5\t16\txy_5_16\t1\t0.947526121294023\t0.0524738787059769\tNA\tNA\tNA\n+6\t16\txy_6_16\t1\t0.952666428880231\t0.0473335711197694\tNA\tNA\tNA\n+7\t16\txy_7_16\t1\t0.951511159933006\t0.0484888400669943\tNA\tNA\tNA\n+8\t16\txy_8_16\t5\tNA\tNA\tNA\tNA\t1\n+9\t16\txy_9_16\t5\tNA\tNA\tNA\tNA\t1\n+10\t16\txy_10_16\t5\tNA\tNA\tNA\tNA\t1\n+11\t16\txy_11_16\t5\tNA\tNA\tNA\tNA\t1\n+12\t16\txy_12_16\t5\tNA\tNA\tNA\tNA\t1\n+13\t16\txy_13_16\t5\tNA\tNA\tNA\tNA\t1\n+14\t16\txy_14_16\t5\tNA\tNA\tNA\tNA\t1\n+15\t16\txy_15_16\t5\tNA\tNA\tNA\tNA\t1\n+16\t16\txy_16_16\t5\tNA\tNA\tNA\tNA\t1\n+17\t16\txy_17_16\t5\tNA\tNA\tNA\tNA\t1\n+18\t16\txy_18_16\t5\tNA\tNA\tNA\tNA\t1\n+19\t16\txy_19_16\t5\tNA\tNA\tNA\tNA\t1\n+20\t16\txy_20_16\t5\tNA\tNA\tNA\tNA\t1\n+1\t17\txy_1_17\t1\t0.950060906792099\t0.0499390932079009\tNA\tNA\tNA\n+2\t17\txy_2_17\t1\t0.946515465266608\t0.0534845347333916\tNA\tNA\tNA\n+3\t17\txy_3_17\t1\t0.793090453929008\t0.206909546070992\tNA\tNA\tNA\n+4\t17\txy_4_17\t1\t0.952616455037497\t0.0473835449625028\tNA\tNA\tNA\n+5\t17\txy_5_17\t1\t0.952145463899211\t0.0478545361007892\tNA\tNA\tNA\n+6\t17\txy_6_17\t1\t0.949486664118868\t0.0505133358811326\tNA\tNA\tNA\n+7\t17\txy_7_17\t1\t0.955041365581388\t0.0449586344186117\tNA\tNA\tNA\n+8\t17\txy_8_17\t5\tNA\tNA\tNA\tNA\t1\n+9\t17\txy_9_17\t5\tNA\tNA\tNA\tNA\t1\n+10\t17\txy_10_17\t5\tNA\tNA\tNA\tNA\t1\n+11\t17\txy_11_17\t5\tNA\tNA\tNA\tNA\t1\n+12\t17\txy_12_17\t5\tNA\tNA\tNA\tNA\t1\n+13\t17\txy_13_17\t5\tNA\tNA\tNA\tNA\t1\n+14\t17\txy_14_17\t5\tNA\tNA\tNA\tNA\t1\n+15\t17\txy_15_17\t5\tNA\tNA\tNA\tNA\t1\n+16\t17\txy_16_17\t5\tNA\tNA\tNA\tNA\t1\n+17\t17\txy_17_17\t5\tNA\tNA\tNA\tNA\t1\n+18\t17\txy_18_17\t5\tNA\tNA\tNA\tNA\t1\n+19\t17\txy_19_17\t5\tNA\tNA\tNA\tNA\t1\n+20\t17\txy_20_17\t5\tNA\tNA\tNA\tNA\t1\n+1\t18\txy_1_18\t1\t0.924283612907066\t0.0757163870929339\tNA\tNA\tNA\n+2\t18\txy_2_18\t1\t0.833271075296862\t0.166728924703139\tNA\tNA\tNA\n+3\t18\txy_3_18\t1\t0.950506749170232\t0.0494932508297682\tNA\tNA\tNA\n+4\t18\txy_4_18\t1\t0.945030112956943\t0.054969887043057\tNA\tNA\tNA\n+5\t18\txy_5_18\t1\t0.947419130420145\t0.0525808695798547\tNA\tNA\tNA\n+6\t18\txy_6_18\t1\t0.94636686386672\t0.0536331361332798\tNA\tNA\tNA\n+7\t18\txy_7_18\t1\t0.946842051526658\t0.0531579484733416\tNA\tNA\tNA\n+8\t18\txy_8_18\t5\tNA\tNA\tNA\tNA\t1\n+9\t18\txy_9_18\t5\tNA\tNA\tNA\tNA\t1\n+10\t18\txy_10_18\t5\tNA\tNA\tNA\tNA\t1\n+11\t18\txy_11_18\t5\tNA\tNA\tNA\tNA\t1\n+12\t18\txy_12_18\t5\tNA\tNA\tNA\tNA\t1\n+13\t18\txy_13_18\t5\tNA\tNA\tNA\tNA\t1\n+14\t18\txy_14_18\t5\tNA\tNA\tNA\tNA\t1\n+15\t18\txy_15_18\t5\tNA\tNA\tNA\tNA\t1\n+16\t18\txy_16_18\t5\tNA\tNA\tNA\tNA\t1\n+17\t18\txy_17_18\t5\tNA\tNA\tNA\tNA\t1\n+18\t18\txy_18_18\t5\tNA\tNA\tNA\tNA\t1\n+19\t18\txy_19_18\t5\tNA\tNA\tNA\tNA\t1\n+20\t18\txy_20_18\t5\tNA\tNA\tNA\tNA\t1\n+1\t19\txy_1_19\t1\t0.945469095167889\t0.0545309048321114\tNA\tNA\tNA\n+2\t19\txy_2_19\t1\t0.947686502636905\t0.052313497363095\tNA\tNA\tNA\n+3\t19\txy_3_19\t1\t0.500724657394895\t0.499275342605105\tNA\tNA\tNA\n+4\t19\txy_4_19\t1\t0.943283865302304\t0.0567161346976964\tNA\tNA\tNA\n+5\t19\txy_5_19\t1\t0.943587862592802\t0.0564121374071975\tNA\tNA\tNA\n+6\t19\txy_6_19\t1\t0.943792124413294\t0.0562078755867061\tNA\tNA\tNA\n+7\t19\txy_7_19\t1\t0.923971584962464\t0.0760284150375363\tNA\tNA\tNA\n+8\t19\txy_8_19\t5\tNA\tNA\tNA\tNA\t1\n+9\t19\txy_9_19\t5\tNA\tNA\tNA\tNA\t1\n+10\t19\txy_10_19\t5\tNA\tNA\tNA\tNA\t1\n+11\t19\txy_11_19\t5\tNA\tNA\tNA\tNA\t1\n+12\t19\txy_12_19\t5\tNA\tNA\tNA\tNA\t1\n+13\t19\txy_13_19\t5\tNA\tNA\tNA\tNA\t1\n+14\t19\txy_14_19\t5\tNA\tNA\tNA\tNA\t1\n+15\t19\txy_15_19\t5\tNA\tNA\tNA\tNA\t1\n+16\t19\txy_16_19\t5\tNA\tNA\tNA\tNA\t1\n+17\t19\txy_17_19\t5\tNA\tNA\tNA\tNA\t1\n+18\t19\txy_18_19\t5\tNA\tNA\tNA\tNA\t1\n+19\t19\txy_19_19\t5\tNA\tNA\tNA\tNA\t1\n+20\t19\txy_20_19\t5\tNA\tNA\tNA\tNA\t1\n+1\t20\txy_1_20\t1\t0.945806686367799\t0.054193313632201\tNA\tNA\tNA\n+2\t20\txy_2_20\t1\t0.916303384573456\t0.0836966154265443\tNA\tNA\tNA\n+3\t20\txy_3_20\t1\t0.951763565776223\t0.0482364342237765\tNA\tNA\tNA\n+4\t20\txy_4_20\t1\t0.943923476961385\t0.0560765230386148\tNA\tNA\tNA\n+5\t20\txy_5_20\t2\t0.425906202005294\t0.574093797994706\tNA\tNA\tNA\n+6\t20\txy_6_20\t1\t0.940077538712559\t0.0599224612874413\tNA\tNA\tNA\n+7\t20\txy_7_20\t2\t0.499816861759627\t0.500183138240373\tNA\tNA\tNA\n+8\t20\txy_8_20\t5\tNA\tNA\tNA\tNA\t1\n+9\t20\txy_9_20\t5\tNA\tNA\tNA\tNA\t1\n+10\t20\txy_10_20\t5\tNA\tNA\tNA\tNA\t1\n+11\t20\txy_11_20\t5\tNA\tNA\tNA\tNA\t1\n+12\t20\txy_12_20\t5\tNA\tNA\tNA\tNA\t1\n+13\t20\txy_13_20\t5\tNA\tNA\tNA\tNA\t1\n+14\t20\txy_14_20\t5\tNA\tNA\tNA\tNA\t1\n+15\t20\txy_15_20\t5\tNA\tNA\tNA\tNA\t1\n+16\t20\txy_16_20\t5\tNA\tNA\tNA\tNA\t1\n+17\t20\txy_17_20\t5\tNA\tNA\tNA\tNA\t1\n+18\t20\txy_18_20\t5\tNA\tNA\tNA\tNA\t1\n+19\t20\txy_19_20\t5\tNA\tNA\tNA\tNA\t1\n+20\t20\txy_20_20\t5\tNA\tNA\tNA\tNA\t1\n'
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/spatial_DGMM_input.ibd
b
Binary file test-data/spatial_DGMM_input.ibd has changed
b
diff -r 5279bc051339 -r 653ad2b367f2 test-data/spatial_DGMM_input.imzML
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/spatial_DGMM_input.imzML Tue Feb 22 20:43:15 2022 +0000
b
b'@@ -0,0 +1,11675 @@\n+<?xml version="1.0"?>\n+<mzML version="1.1" xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0_idx.xsd">\n+\t<cvList count="3">\n+\t\t<cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="1.3.1" URI="http://psidev.info/ms/mzML/psi-ms.obo" />\n+\t\t<cv id="UO" fullName="Unit Ontology" version="1.15" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo" />\n+\t\t<cv id="IMS" fullName="Imaging MS Ontology" version="0.9.1" URI="http://www.maldi-msi.org/download/imzml/imagingMS.obo" />\n+\t</cvList>\n+\t<fileDescription>\n+\t\t<fileContent>\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value="" />\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value="" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000080" name="universally unique identifier" value="415e4f4c-80a5-421c-98ac-aad8446a3965" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000091" name="ibd SHA-1" value="eb8dd2a4853aa7669cff1c7c63336ff2f340d27f" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000030" name="continuous" value="" />\n+\t\t</fileContent>\n+\t</fileDescription>\n+\t<referenceableParamGroupList count="4">\n+\t\t<referenceableParamGroup id="spectrum1">\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value="" />\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="0" />\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000127" name="centroid spectrum" value="" />\n+\t\t</referenceableParamGroup>\n+\t\t<referenceableParamGroup id="scan1">\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000093" name="increasing m/z scan" value="" />\n+\t\t</referenceableParamGroup>\n+\t\t<referenceableParamGroup id="mzArray">\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000576" name="no compression" value="" />\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000514" name="m/z array" value="" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000101" name="external data" value="true" />\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value="" />\n+\t\t</referenceableParamGroup>\n+\t\t<referenceableParamGroup id="intensityArray">\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000576" name="no compression" value="" />\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000515" name="intensity array" value="" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of counts" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000101" name="external data" value="true" />\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000521" name="32-bit float" value="" />\n+\t\t</referenceableParamGroup>\n+\t</referenceableParamGroupList>\n+\t<sampleList count="1">\n+\t\t<sample id="sample1" name="Sample1">\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000001" name="sample number" value="1" />\n+\t\t</sample>\n+\t</sampleList>\n+\t<softwareList count="1">\n+\t\t<software id="Cardinal" version="2.6.0">\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="" />\n+\t\t</software>\n+\t</softwareList>\n+\t<scanSettingsList count="1">\n+\t\t<scanSettings id="scansettings1">\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000042" name="max count of pixel x" value="20" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000043" name="max count of pixel y" value="20" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000044" name="max dimension x" value="20" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000045" name="max dimension y" value="20" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000046" name="pixel size x" value="1.000000" />\n+\t\t\t<cvParam cvRef="IMS" accession="IMS:1000047" name="pixel size y" value="1.000000" />\n+\t\t</scanSettings>\n+\t</scanSettingsList>\n+\t<instrumentConfigurationList count="1">\n+\t\t<instrumentConfiguration id="IC1">\n+\t\t\t<cvParam cvRef="MS" accession="MS:1000031" name="instrument model" />\n+\t\t</instrumentConfiguration>\n+\t</instrumentConfigurationList>\n+\t<dataProcessingList cou'..b'eParamGroupRef ref="mzArray" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="16" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="10" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="40" />\n+\t\t\t\t\t\t<binary />\n+\t\t\t\t\t</binaryDataArray>\n+\t\t\t\t\t<binaryDataArray encodedLength="0">\n+\t\t\t\t\t\t<referenceableParamGroupRef ref="intensityArray" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="15936" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="10" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="40" />\n+\t\t\t\t\t\t<binary />\n+\t\t\t\t\t</binaryDataArray>\n+\t\t\t\t</binaryDataArrayList>\n+\t\t\t</spectrum>\n+\t\t\t<spectrum id="Spectrum=399" defaultArrayLength="0" index="399">\n+\t\t\t\t<referenceableParamGroupRef ref="spectrum1" />\n+\t\t\t\t<scanList count="1">\n+\t\t\t\t\t<cvParam cvRef="MS" accession="MS:1000795" name="no combination" value="" />\n+\t\t\t\t\t<scan instrumentConfigurationRef="IC1">\n+\t\t\t\t\t\t<referenceableParamGroupRef ref="scan1" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="19" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="20" />\n+\t\t\t\t\t\t<userParam name="3DPositionX" value="19.000000" />\n+\t\t\t\t\t\t<userParam name="3DPositionY" value="20.000000" />\n+\t\t\t\t\t</scan>\n+\t\t\t\t</scanList>\n+\t\t\t\t<binaryDataArrayList count="2">\n+\t\t\t\t\t<binaryDataArray encodedLength="0">\n+\t\t\t\t\t\t<referenceableParamGroupRef ref="mzArray" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="16" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="10" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="40" />\n+\t\t\t\t\t\t<binary />\n+\t\t\t\t\t</binaryDataArray>\n+\t\t\t\t\t<binaryDataArray encodedLength="0">\n+\t\t\t\t\t\t<referenceableParamGroupRef ref="intensityArray" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="15976" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="10" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="40" />\n+\t\t\t\t\t\t<binary />\n+\t\t\t\t\t</binaryDataArray>\n+\t\t\t\t</binaryDataArrayList>\n+\t\t\t</spectrum>\n+\t\t\t<spectrum id="Spectrum=400" defaultArrayLength="0" index="400">\n+\t\t\t\t<referenceableParamGroupRef ref="spectrum1" />\n+\t\t\t\t<scanList count="1">\n+\t\t\t\t\t<cvParam cvRef="MS" accession="MS:1000795" name="no combination" value="" />\n+\t\t\t\t\t<scan instrumentConfigurationRef="IC1">\n+\t\t\t\t\t\t<referenceableParamGroupRef ref="scan1" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000050" name="position x" value="20" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000051" name="position y" value="20" />\n+\t\t\t\t\t\t<userParam name="3DPositionX" value="20.000000" />\n+\t\t\t\t\t\t<userParam name="3DPositionY" value="20.000000" />\n+\t\t\t\t\t</scan>\n+\t\t\t\t</scanList>\n+\t\t\t\t<binaryDataArrayList count="2">\n+\t\t\t\t\t<binaryDataArray encodedLength="0">\n+\t\t\t\t\t\t<referenceableParamGroupRef ref="mzArray" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="16" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="10" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="40" />\n+\t\t\t\t\t\t<binary />\n+\t\t\t\t\t</binaryDataArray>\n+\t\t\t\t\t<binaryDataArray encodedLength="0">\n+\t\t\t\t\t\t<referenceableParamGroupRef ref="intensityArray" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000102" name="external offset" value="16016" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000103" name="external array length" value="10" />\n+\t\t\t\t\t\t<cvParam cvRef="IMS" accession="IMS:1000104" name="external encoded length" value="40" />\n+\t\t\t\t\t\t<binary />\n+\t\t\t\t\t</binaryDataArray>\n+\t\t\t\t</binaryDataArrayList>\n+\t\t\t</spectrum>\n+\t\t</spectrumList>\n+\t</run>\n+</mzML>\n'