ChemSharp.Spectroscopy 1.0.13

Install-Package ChemSharp.Spectroscopy -Version 1.0.13
dotnet add package ChemSharp.Spectroscopy --version 1.0.13
<PackageReference Include="ChemSharp.Spectroscopy" Version="1.0.13" />
For projects that support PackageReference, copy this XML node into the project file to reference the package.
paket add ChemSharp.Spectroscopy --version 1.0.13
The NuGet Team does not provide support for this client. Please contact its maintainers for support.
#r "nuget: ChemSharp.Spectroscopy, 1.0.13"
#r directive can be used in F# Interactive, C# scripting and .NET Interactive. Copy this into the interactive tool or source code of the script to reference the package.
// Install ChemSharp.Spectroscopy as a Cake Addin
#addin nuget:?package=ChemSharp.Spectroscopy&version=1.0.13

// Install ChemSharp.Spectroscopy as a Cake Tool
#tool nuget:?package=ChemSharp.Spectroscopy&version=1.0.13
The NuGet Team does not provide support for this client. Please contact its maintainers for support.

<p align="center"> <img src="https://raw.githubusercontent.com/JensKrumsieck/ChemSharp/master/icon.png" height="125px" /></p> <h1 align="center" >ChemSharp.Spectroscopy</h1>

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Features

Create Spectra

Spectra can be created in a lot of ways. The easiest way is to use SpectrumFactory.Create, which accepts a string path. Depending on the File extension the correct DataProvider is used to load the file.

//Creates an UV/Vis Spectrum
const string path = "files/uvvis.dsw";
var uvvis = SpectrumFactory.Create(path);

It is also possible to create a Spectrum by using a specific DataProvider (e.g. if automatic detection fails or you only want to support a selected number of file types)

//You can also create spectra by choosing the provider 
//explicitly. e.g. csv files
//Reads in an CSV Spectrum (first data only)
const string path = "files/uvvis.csv";
var prov = new GenericCSVProvider(path);
var uvvis = new Spectrum(prov);

There is also the MultiCSVProvider which can provide data from multiple XY pairs in a csv file

//To read in all CSV Data stored as (X,Y) pairs use the MultiCSVProvider
//Each Spectrum will be stored as DataPoint[] in MultiXYData
const string file = "files/multicsv.csv";
var provider = new MultiCSVProvider(file);

Supported Filetypes

  • Import (Varian/Agilient DSW, Bruker EMX SPC/PAR, Bruker TopSpin (fid, (1r/1i processed spectra), JCAMP-DX (acqus, procs, ...)), CSV)
  • Export (CSV)
Used Libraries:
Compatibility
  • .NET Standard 2.0, .NET Standard 2.1, .NET 5, .NET 6

NuGet packages

This package is not used by any NuGet packages.

GitHub repositories

This package is not used by any popular GitHub repositories.

Version Downloads Last updated
1.0.13 73 12/5/2021
1.0.12 59 12/5/2021
1.0.11 2,723 11/25/2021
1.0.10 97 8/6/2021
1.0.9 120 7/2/2021
1.0.8 128 6/18/2021
1.0.7 154 6/16/2021
1.0.6 98 5/20/2021
1.0.5 138 5/20/2021
1.0.4 220 4/4/2021
1.0.3 137 3/30/2021
1.0.2 109 3/29/2021
1.0.1 119 3/9/2021
1.0.0 102 3/2/2021
1.0.0-beta5 84 2/20/2021
1.0.0-beta4 99 2/16/2021
1.0.0-beta3 138 2/11/2021
1.0.0-beta2 113 2/6/2021
1.0.0-beta1 108 2/4/2021
1.0.0-alpha20210202 102 2/2/2021
1.0.0-alpha20210123 137 1/23/2021
1.0.0-alpha20210105 158 1/6/2021
1.0.0-alpha1 175 12/28/2020