updated qcxms docs (#111)

grimme-lab · Oct 16, 2023 · 33d7cba · 33d7cba
1 parent 6c519fd
commit 33d7cba
Showing 1 changed file with 7 additions and 7 deletions.
diff --git a/source/qcxms_doc/qcxms_plot.rst b/source/qcxms_doc/qcxms_plot.rst
@@ -37,13 +37,13 @@ the folder of the *.res* file.
 The file can be read in using `plotms -i <file>`.
 Most recommended is using a *.csv* file format with the following specifications: 
 
-+--------------------+-----------------------------+-------------------+
-| intensity *<real>* |                             | m/z *<real>*      | 
-+--------------------+-----------------------------+-------------------+
-| intensity *<real>* |                             | m/z *<real>*      | 
-+--------------------+-----------------------------+-------------------+
-|       `.....`      |                             |      `.....`      | 
-+--------------------+-----------------------------+-------------------+
++--------------------+----------------------------+--------------------+
+| m/z *<real>*       |             ,              | intensity *<real>* | 
++--------------------+----------------------------+--------------------+
+| m/z *<real>*       |             ,              | intensity *<real>* | 
++--------------------+----------------------------+--------------------+
+|       `.....`      |             ,              |      `.....`       | 
++--------------------+----------------------------+--------------------+
 
 PlotMS will than plot the *.agr* file with direct comparison between computed and experimental 
 results.