# HG changeset patch
# User recetox
# Date 1598347043 0
# Node ID 2bb3c7ae9777eb3fc42726a99e98ae9bef8a51cf
"planemo upload commit 40818fd30d8cf43485c215e7ce10c16757024957-dirty"
diff -r 000000000000 -r 2bb3c7ae9777 aplcms_hybrid.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/aplcms_hybrid.xml Tue Aug 25 09:17:23 2020 +0000
@@ -0,0 +1,80 @@
+
+
+ aplcms_macros.xml
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ This is the Hybrid version of apLCMS which is incorporating the knowledge of known metabolites and historically
+ detected features on the same machinery to help detect and quantify lower-intensity peaks.
+
+ CAUTION: To use such knowledge, especially historical data, you must keep using (1) the same chromatography
+ system (otherwise the retention time will not match), and (2) the same type of samples with similar extraction
+ technique, such as human serum.
+
+ @GENERAL_HELP@
+
+
+
+
\ No newline at end of file
diff -r 000000000000 -r 2bb3c7ae9777 aplcms_macros.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/aplcms_macros.xml Tue Aug 25 09:17:23 2020 +0000
@@ -0,0 +1,146 @@
+
+ deployment
+
+
+
+ recetox_datatypes
+ registry.gitlab.ics.muni.cz:443/recetox/mass-spectrometry/aplcms:deployment
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ apLCMS is a software which generates a feature table from a batch of LC/MS spectra. The m/z and retention time
+ tolerance levels are estimated from the data. A run-filter is used to detect peaks and remove noise.
+ Non-parametric statistical methods are used to find-tune peak selection and grouping. After retention time
+ correction, a feature table is generated by aligning peaks across spectra. For further information on apLCMS
+ please refer to http://web1.sph.emory.edu/apLCMS.
+
+
+
+
+ 10.1093/bioinformatics/btp291
+ 10.1186/1471-2105-11-559
+ 10.1021/pr301053d
+ 10.1093/bioinformatics/btu430
+
+
+
\ No newline at end of file