Mercurial > repos > recetox > recetox_aplcms_compute_clusters

changeset 9:f3a18e020cdd draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox_aplcms commit b88eaca14b030fc0023989f3c83479e4975d172a
author recetox
date Thu, 01 Aug 2024 10:58:24 +0000
parents b9b19a74ac01
children 18ec7635bac6
files macros.xml recetox_aplcms_compute_clusters.xml test-data/peak_table_galaxy.parquet test-data/remove_noise_docker.parquet test-data/remove_noise_docker_threshold.parquet
diffstat 5 files changed, 4 insertions(+), 2 deletions(-) [+]
line wrap: on
line diff
--- a/macros.xml	Thu May 30 14:53:01 2024 +0000
+++ b/macros.xml	Thu Aug 01 10:58:24 2024 +0000
@@ -1,5 +1,5 @@
 <macros>
-    <token name="@TOOL_VERSION@">0.12.0</token>
+    <token name="@TOOL_VERSION@">0.13.2</token>
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="@TOOL_VERSION@">r-recetox-aplcms</requirement>
@@ -66,6 +66,8 @@
                The recommended value is the machine's nominal accuracy level (e.g. for FTMS, it is 10)." />
         <param name="baseline_correct" type="float" value="0" label="Baseline correction [unit of signal intensity]"
                help="After grouping the observations, the highest intensity in each group is found. If the highest is lower than this value, the entire group will be deleted." />
+        <param name="grouping_threshold" type="float" min="0" value="Inf" label="Grouping Threshold [unit corresponds to the retention time]"
+               help="Maximum empty space between section of the chromatogram for splitting EICs" />
         <param name="intensity_weighted" type="boolean" checked="false" truevalue="TRUE" falsevalue="FALSE" label="Weight intensity"
                help="Whether to weight the local density by signal intensities in initial peak detection." />
     </xml>
--- a/recetox_aplcms_compute_clusters.xml	Thu May 30 14:53:01 2024 +0000
+++ b/recetox_aplcms_compute_clusters.xml	Thu Aug 01 10:58:24 2024 +0000
@@ -1,4 +1,4 @@
-<tool id="recetox_aplcms_compute_clusters" name="recetox-aplcms - compute clusters" version="@TOOL_VERSION@+galaxy3" profile="21.09">
+<tool id="recetox_aplcms_compute_clusters" name="recetox-aplcms - compute clusters" version="@TOOL_VERSION@+galaxy0" profile="21.09">
     <description>compute clusters of mz and rt across samples and assign cluster IDs to individual features</description>
     <macros>
         <import>macros.xml</import>
Binary file test-data/peak_table_galaxy.parquet has changed
Binary file test-data/remove_noise_docker.parquet has changed
Binary file test-data/remove_noise_docker_threshold.parquet has changed