ChemSharp.Spectroscopy 1.0.0-alpha1

This is a prerelease version of ChemSharp.Spectroscopy.
There is a newer version of this package available.
See the version list below for details.
Install-Package ChemSharp.Spectroscopy -Version 1.0.0-alpha1
dotnet add package ChemSharp.Spectroscopy --version 1.0.0-alpha1
<PackageReference Include="ChemSharp.Spectroscopy" Version="1.0.0-alpha1" />
For projects that support PackageReference, copy this XML node into the project file to reference the package.
paket add ChemSharp.Spectroscopy --version 1.0.0-alpha1
The NuGet Team does not provide support for this client. Please contact its maintainers for support.
#r "nuget: ChemSharp.Spectroscopy, 1.0.0-alpha1"
#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=1.0.0-alpha1&prerelease

// Install ChemSharp.Spectroscopy as a Cake Tool
#tool nuget:?package=ChemSharp.Spectroscopy&version=1.0.0-alpha1&prerelease
The NuGet Team does not provide support for this client. Please contact its maintainers for support.

Chem# (ChemSharp)

Maintainability .NET Core

Features

  • Open and process Spectroscopy related files (see Supported Filetypes)
  • Open and process Molecular files (see Supported Filetypes)
  • Sum formula operations and elemental analysis calculation
  • Unit Conversion for
    • Energy
    • Magnetic Units
    • Mass
  • Using Elemental Data from https://github.com/JensKrumsieck/periodic-table and natural constants

Supported Filetypes

  • Molecule

    • XYZ
    • CIF (crystallographic information file)
    • MOL2 (TRIPOS Mol2)
  • Spectroscopy

    • Varian/Agilient DSW
    • Bruker EMX SPC/PAR
    • Bruker TopSpin (fid, (1r/1i processed spectra), JCAMP-DX (acqus, procs, ...))
    • CSV
Used Libraries:
  • .NETStandard 2.1

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