GasChromatographyToolbox / GasChromatographySimulator.jl

A package for the simulation of gas chromatography (GC)
MIT License
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ID-number for peaklist #92

Closed JanLeppert closed 1 year ago

JanLeppert commented 1 year ago
  1. GasChromatographySimulator.jl:
    • added number of the solute from the database to the peaklist
    • added annotations (source, categories) to the peaklist
    • correction for the warning of not found solutes in the load_solute_database()
  2. Notebook 'simulation_conventional_GC_local.jl:
    • added numbering of the loaded database
codecov[bot] commented 1 year ago

Codecov Report

Merging #92 (6377836) into main (6e3c3dc) will increase coverage by 0.10%. The diff coverage is 90.90%.

@@            Coverage Diff             @@
##             main      #92      +/-   ##
==========================================
+ Coverage   81.60%   81.71%   +0.10%     
==========================================
  Files           5        5              
  Lines        1196     1214      +18     
==========================================
+ Hits          976      992      +16     
- Misses        220      222       +2     
Impacted Files Coverage Δ
src/GasChromatographySimulator.jl 80.38% <90.90%> (+0.27%) :arrow_up:

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JanLeppert commented 1 year ago
  1. GasChromatographySimulator.jl
    • corrected the Type for the ID number No in the peaklist to allow missing
JanLeppert commented 1 year ago

closes #83

JanLeppert commented 1 year ago

close #83