Skip to content
Please note that GitHub no longer supports your web browser.

We recommend upgrading to the latest Google Chrome or Firefox.

Learn more

/ ReSOLUTION

Permalink
Tree: acb6b60c2c
Commits on Jan 22, 2020

  1. fixed UDS function for non localCSV

    @schymane
    schymane committed Jan 22, 2020 
    ...ensures that users can change weighting for PubChem and ChemSpider as well, not just localCSV
    acb6b60
Commits on Dec 18, 2018

  1. fixed typo in MetFragConfig docs

    @schymane
    schymane committed Dec 18, 2018
    cf30ffe
Commits on Dec 6, 2018

  1. added tryCatch to RMB_EIC_prescreen

    @schymane
    schymane committed Dec 6, 2018 
    Prescreening failed on compound lists containing only masses due to error in findSmiles; adding tryCatch seems to fix this
    2481832
Commits on Nov 13, 2018

  1. Update MassBankRecordeR.R

    @schymane
    schymane committed Nov 13, 2018 
    added pattern parameter, adjusted docs
    ede1706
Commits on Nov 7, 2018

  1. Updated RMB_EIC_prescreen

    @schymane
    schymane committed Nov 7, 2018 
    Fixed hardcoded filenames and findMz to work on just mz if SMILES is missing. Note this requires that formula entries in the compound list will need mz entries. mz is not corrected for mode.
    8e03585
Commits on Jul 25, 2018

  1. patch MetFragConfig, added RMB_EIC_prescreen

    @schymane
    schymane committed Jul 25, 2018 
    fixed adduct check in MetFragConfig, added RMB_EIC_prescreen, v0.1.7
    a0cc053
Commits on Jul 4, 2018

  1. Update screen.homol

    @schymane
    schymane committed Jul 4, 2018 
    Fixes csv output, adduct specification, closes #3
    8ccb055
Commits on Jun 22, 2018

  1. fixed one link in docs

    @schymane
    schymane committed Jun 22, 2018 
    Committing older change from 11/5/2018
    b6e1242

  2. Merge pull request #2 from c-ruttkies/master

    @schymane
    schymane committed Jun 22, 2018 
    Update MetFrag_AdductTypes.csv
    Verified
    This commit was created on GitHub.com and signed with a verified signature using GitHub’s key.
    GPG key ID: 4AEE18F83AFDEB23 Learn about signing commits
    aaa64ce
Commits on May 15, 2018

  1. Update MetFragConfig.Rd

    c-ruttkies
    c-ruttkies committed May 15, 2018 
    Just fixed a typo
    Verified
    This commit was created on GitHub.com and signed with a verified signature using GitHub’s key.
    GPG key ID: 4AEE18F83AFDEB23 Learn about signing commits
    cb1e669

  2. Update MetFrag_AdductTypes.csv

    c-ruttkies
    c-ruttkies committed May 15, 2018 
    removed space after [M+K]+
    Verified
    This commit was created on GitHub.com and signed with a verified signature using GitHub’s key.
    GPG key ID: 4AEE18F83AFDEB23 Learn about signing commits
    3727216
Commits on May 4, 2018

  1. updated CompToxFullCSVtoLocalCSVterms, fixed docs

    @schymane
    schymane committed May 4, 2018 
    added ability to manually define columns to remove in CompToxFullCSVtoLocalCSVterms, with defaults; fixed documentation issues
    44b27ce
Commits on Apr 27, 2018

  1. update README

    @schymane
    schymane committed Apr 27, 2018
    3b313a0
Commits on Apr 26, 2018

  1. Updated CompToxCSVtoLocalCSVterms example

    @schymane
    schymane committed Apr 26, 2018 
    Fixed reference to incorrect file name
    549ca34

  2. Initial commit to GitHub

    @schymane
    schymane committed Apr 26, 2018 
    First commit of ReSOLUTION to GitHub
    47de8c5

  3. Initial commit

    @schymane
    schymane committed Apr 26, 2018
    edf814e
You can’t perform that action at this time.