OpenChrom®

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1.5.0.20220819 | Updated: 19 Aug 2022

Downloads:

3,711

Downloads of v 1.5.0.20220819:

312

Software Author(s):

  • Lablicate

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OpenChrom® 1.5.0.20220819

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This Package Contains an Exempted Check

Not All Tests Have Passed


Validation Testing Passed


Verification Testing Exemption:

Extraction of zip file causes path too long exception.

Details

Scan Testing Exemption for this package version only:

File too large to be scanned

Details
Learn More

Deployment Method: Individual Install, Upgrade, & Uninstall

To install OpenChrom®, run the following command from the command line or from PowerShell:

>

To upgrade OpenChrom®, run the following command from the command line or from PowerShell:

>

To uninstall OpenChrom®, run the following command from the command line or from PowerShell:

>

Deployment Method:

📝 NOTE: This applies to both open source and commercial editions of Chocolatey.

1. Enter Your Internal Repository Url

(this should look similar to https://community.chocolatey.org/api/v2/)


2. Setup Your Environment

1. Ensure you are set for organizational deployment

Please see the organizational deployment guide

2. Get the package into your environment

  • Open Source or Commercial:
    • Proxy Repository - Create a proxy nuget repository on Nexus, Artifactory Pro, or a proxy Chocolatey repository on ProGet. Point your upstream to https://community.chocolatey.org/api/v2/. Packages cache on first access automatically. Make sure your choco clients are using your proxy repository as a source and NOT the default community repository. See source command for more information.
    • You can also just download the package and push it to a repository Download

3. Copy Your Script

choco upgrade openchrom -y --source="'INTERNAL REPO URL'" [other options]

See options you can pass to upgrade.

See best practices for scripting.

Add this to a PowerShell script or use a Batch script with tools and in places where you are calling directly to Chocolatey. If you are integrating, keep in mind enhanced exit codes.

If you do use a PowerShell script, use the following to ensure bad exit codes are shown as failures:


choco upgrade openchrom -y --source="'INTERNAL REPO URL'" 
$exitCode = $LASTEXITCODE

Write-Verbose "Exit code was $exitCode"
$validExitCodes = @(0, 1605, 1614, 1641, 3010)
if ($validExitCodes -contains $exitCode) {
  Exit 0
}

Exit $exitCode

- name: Install openchrom
  win_chocolatey:
    name: openchrom
    version: '1.5.0.20220819'
    source: INTERNAL REPO URL
    state: present

See docs at https://docs.ansible.com/ansible/latest/modules/win_chocolatey_module.html.


chocolatey_package 'openchrom' do
  action    :install
  source   'INTERNAL REPO URL'
  version  '1.5.0.20220819'
end

See docs at https://docs.chef.io/resource_chocolatey_package.html.


cChocoPackageInstaller openchrom
{
    Name     = "openchrom"
    Version  = "1.5.0.20220819"
    Source   = "INTERNAL REPO URL"
}

Requires cChoco DSC Resource. See docs at https://github.com/chocolatey/cChoco.


package { 'openchrom':
  ensure   => '1.5.0.20220819',
  provider => 'chocolatey',
  source   => 'INTERNAL REPO URL',
}

Requires Puppet Chocolatey Provider module. See docs at https://forge.puppet.com/puppetlabs/chocolatey.


4. If applicable - Chocolatey configuration/installation

See infrastructure management matrix for Chocolatey configuration elements and examples.

There are versions of this package awaiting moderation . See the Version History section below.

This package is exempt from moderation. While it is likely safe for you, there is more risk involved.
Description

OpenChrom® is an open source software for chromatography, spectrometry and spectroscopy and based on the Eclipse Rich Client Platform (RCP). Data from different systems can be imported and analyzed, hence it’s a vendor independent software.

Generally, it supports handling . Designed to analyze data from analytical pyrolysis, called Py-GC/MS, it has a strong focus on chromatography and nominal mass spectrometry.

Features

  • Native handling of GC/MS, GC/FID, HPLC-UV/VIS, FTIR, PCR and NMR data.
  • Analyze data from analytical pyrolysis, Py-GC/MS.
  • Methods for peak detection, integration, identification, quantitation and reporting.
  • Internal (ISTD) and external standards (ESTD) for quantitation purposes.
  • Filters to help optimize the measurements and calculate key values of the chromatographic data and help to point out problems like shifted retention times or degraded columns.
  • Helps detect and identify peaks in a GC/MS file and to transfer these peaks to its corresponding GC/FID measurement for quantitation purposes.
  • Works in target screening (TS) and non-target screening (NTS) mode.
  • Extensible with plugins

OpenChrom® is tailored for data analysis purposes including processing, visualization and reporting. The implemented batch-processing features allow high-throughput evaluation. A continuously growing portfolio of processing and analysis procedures is provided. Extensions are welcome, as OpenChrom® is open source and uses a flexible approach, which allows others to implement their own methods, algorithms, filters, detectors or integrators.

Supported data formats:

  • Agilent ChemStation FID (*.D/ *.ch)
  • Thermo/Finnigan FID (*.dat)
  • Thermo/Finnigan FID (*.raw)
  • MassHunter (*.D/CPDET1A.CH)
  • PerkinElmer FID (*.raw)
  • Shimadzu GC10 FID (*.C0#)
  • Shimadzu FID (*.gcd)
  • Varian FID (*.run)
  • Agilent MSD (*.D/DATA.MS)
  • Agilent MSD (*.D/data01.icp)
  • Bruker Flex MSD (fid)
  • ChromTech MSD (*.dat)
  • Thermo/Finnigan MSD (*.cgm)
  • Thermo/Finnigan Element II (*.dat)
  • Thermo/Finnigan ICIS (*.dat)
  • Thermo/Finnigan ITDS (*.DAT)
  • Thermo/Finnigan ITS40 (*.MS)
  • Thermo/Finnigan MAT (*.dat)
  • Thermo/Finnigan RAW MSD (*.raw)
  • MassHunter MSD (*.D/AcqData)
  • NIST Database MSD (*.db)
  • Shimadzu MSD (*.qgd)
  • Shimadzu QP-5000 MSD (*.R##)
  • Shimadzu Database MSD (*.spc)
  • Bruker/Varian MSD (*.SMS)
  • Bruker/Varian MSD (*.XMS)
  • VG MSD (*.DAT_001)
  • Waters MSD (*.RAW/_FUNC001.DAT)
  • ABSciex DAD (*.wiff)
  • Agilent VWD (*.D/vwd1A.ch)
  • CAMAG VWD (*.DFM)
  • DataApex FID (*.PRM)
  • MassFinder FID/MSD (*.mfg)
  • MassFinder Library (*.mfl)
  • ABSciex Reports (*.txt)
  • EZChrom Reports (*.dat)
  • ChemStation Reports (*.ch)

tools\chocolateyinstall.ps1
$ErrorActionPreference = 'Stop'

$toolsDir = "$(Split-Path -parent $MyInvocation.MyCommand.Definition)"

$ZipArgs = @{
   PackageName   = $env:ChocolateyPackageName
   url           = 'https://products.lablicate.com/openchrom/1.5.0/openchrom-lablicate_win32.x86_64_1.5.0.zip'
   checksum      = '5bb2cc3d53fd4a10c6f1199ac5e0f8eca0704650d9a43e8886b9126af0f6a4c2'
   ChecksumType  = 'sha256'
   UnzipLocation = Join-Path (Split-Path $toolsDir) "$env:ChocolateyPackageName$env:ChocolateyPackageVersion"
}

Install-ChocolateyZipPackage @ZipArgs

$exes = Get-ChildItem $ZipArgs.UnzipLocation | 
            Where-Object {$_.psiscontainer} | 
            ForEach-Object {Get-ChildItem $_.fullname -filter "*.exe" -Recurse}

foreach ($exe in $exes) {
   New-Item "$($exe.fullname).ignore" -Type file -Force | Out-Null
}

$GUI = (Get-ChildItem $ZipArgs.UnzipLocation -filter "$env:ChocolateyPackageName.exe").fullname
New-Item "$GUI.gui" -Type file -Force | Out-Null

$Linkname = "OpenChrom v$env:ChocolateyPackageVersion.lnk"
$StartPrograms = Join-Path $env:ProgramData '\Microsoft\Windows\Start Menu\Programs'

$ShortcutArgs = @{
   ShortcutFilePath = Join-Path $StartPrograms $Linkname
   TargetPath = $GUI
   IconLocation = Join-Path $toolsDir 'openchrom.ico'
}

Install-ChocolateyShortcut @ShortcutArgs
tools\chocolateyUninstall.ps1
$ErrorActionPreference = 'Stop'

# The installer doesn't remove previous versions, so there could be multiple "installs"
$InstallDirs = Get-ChildItem $env:ChocolateyPackageFolder | 
                  Where-Object {($_.psiscontainer) -and ($_.name -match $env:ChocolateyPackageName)}

# Delete all Start Menu links associated with OpenCrom
foreach ($Dir in $InstallDirs) {
   $lnk = $Dir.Name -replace $env:ChocolateyPackageName,"$env:ChocolateyPackageName v"
   $StartShortcut = Join-Path $env:ProgramData "Microsoft\Windows\Start Menu\Programs\$lnk.lnk"

   if(Test-Path $StartShortcut) {
      Remove-Item $StartShortcut -Force
   }

   # Some files end up with paths > 256 characters and deletion fails.
   # Rename offensively long folders to fix this.
   Get-ChildItem (Join-Path $Dir.FullName "plugins") | 
            Where-Object{($_.psiscontainer) -and ($_.name.Length -gt 25)} |
            ForEach-Object {Rename-Item $_.FullName (get-random -max 10000) -Force}

   $null = Remove-Item $Dir.fullname -Recurse -Force
}
tools\openchrom.ico
 

Log in or click on link to see number of positives.

In cases where actual malware is found, the packages are subject to removal. Software sometimes has false positives. Moderators do not necessarily validate the safety of the underlying software, only that a package retrieves software from the official distribution point and/or validate embedded software against official distribution point (where distribution rights allow redistribution).

Chocolatey Pro provides runtime protection from possible malware.

Add to Builder Version Downloads Last Updated Status
OpenChrom® 1.5.0.20220913 9 Tuesday, September 13, 2022
Waiting for Maintainer
OpenChrom® 1.5.0.20220902 7 Friday, September 2, 2022
Waiting for Maintainer
OpenChrom® 1.5.0.20220805 99 Friday, August 5, 2022 Exempted
OpenChrom® 1.5.0.20220714 156 Friday, July 15, 2022 Exempted
OpenChrom® 1.5.0.20220708 56 Friday, July 8, 2022 Exempted
OpenChrom® 1.5.0.20220701 68 Friday, July 1, 2022 Exempted
OpenChrom® 1.5.0.20220617 127 Friday, June 17, 2022 Exempted
OpenChrom® 1.5.0.20220614 12 Tuesday, June 14, 2022 Exempted

This package has no dependencies.

Discussion for the OpenChrom® Package

Ground Rules:

  • This discussion is only about OpenChrom® and the OpenChrom® package. If you have feedback for Chocolatey, please contact the Google Group.
  • This discussion will carry over multiple versions. If you have a comment about a particular version, please note that in your comments.
  • The maintainers of this Chocolatey Package will be notified about new comments that are posted to this Disqus thread, however, it is NOT a guarantee that you will get a response. If you do not hear back from the maintainers after posting a message below, please follow up by using the link on the left side of this page or follow this link to contact maintainers. If you still hear nothing back, please follow the package triage process.
  • Tell us what you love about the package or OpenChrom®, or tell us what needs improvement.
  • Share your experiences with the package, or extra configuration or gotchas that you've found.
  • If you use a url, the comment will be flagged for moderation until you've been whitelisted. Disqus moderated comments are approved on a weekly schedule if not sooner. It could take between 1-5 days for your comment to show up.
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