Changes in version 1.11                         

MetaboCoreUtils 1.11.3

  - Add examples on isotopes (including deuterium) can be used with
    calculateMass (issue #81)

MetaboCoreUtils 1.11.2

  - Add functions to compute quality check of the data (issue #77

MetaboCoreUtils 1.11.1

  - Add functions to enable linear model-based adjustment of (LC-MS
    derived) abundance matrices (issue #75).

                         Changes in version 1.9                         

MetaboCoreUtils 1.9.4

  - Add function mclosest (issue #20).

MetaboCoreUtils 1.9.3

  - isotopologues checks if provided m/z values are increasingly
    ordered.

MetaboCoreUtils 1.9.2

  - countElements returns NA for invalid elements instead of silently
    dropping them ( PR #65).

MetaboCoreUtils 1.9.1

  - countElements, subtractElements and addElements returns NA if an
    input arguments is NA (issue #61, PR #62).

                         Changes in version 1.5                         

MetaboCoreUtils 1.5.2

  - substractElements drops elements with zero counts (issue #57).

MetaboCoreUtils 1.5.1

  - Add functions formula2mz, adductFormula and multiplyElements (issue
    #55).

                         Changes in version 1.3                         

MetaboCoreUtils 1.3.8

  - Support for heavy isotopes in
    countElements/pasteElements/calculateMass (issue #53).

MetaboCoreUtils 1.3.7

  - Fix bug in containsElements function (issue #51).

MetaboCoreUtils 1.3.6

  - Add functions for Kendrick mass defects.

MetaboCoreUtils 1.3.5

  - Add missing unit tests.

MetaboCoreUtils 1.3.4

  - Add calculateMass function.

MetaboCoreUtils 1.3.3

  - Vectorized versions for chemical mass functions.

MetaboCoreUtils 1.3.2

  - Function for conversion of migration time to effective mobility in
    CE-MS.

MetaboCoreUtils 1.3.1

  - Add isotope detection functionality.

                         Changes in version 1.1                         

MetaboCoreUtils 1.1.3

  - Add isotope detection functionality.

MetaboCoreUtils 1.1.2

  - Add already charged adduct/ion to the adduct definition.

MetaboCoreUtils 1.1.1

  - Add correctRindex function.
  - Add isotopologue function to group isotopologues in MS spectra.

                        Changes in version 0.99                         

MetaboCoreUtils 0.99.1

  - Add [M+H-2(H2O)]+ adduct definition.

MetaboCoreUtils 0.99.0

  - Add package vignette and prepare for Bioconductor submission.

                         Changes in version 0.0                         

MetaboCoreUtils 0.0.3

  - Add internalStandards and internalStandardsNames functions.

MetaboCoreUtils 0.0.3

  - Refactor mass2mz and mz2mass to support calculation of multiple
    adducts for multiple input values as well as user defined adduct
    definition.
  - Add functions adducts to return a data.frame with the (built-in)
    adduct definitions.

MetaboCoreUtils 0.0.2

  - Vectorize mass2mz and mz2mass and additional performance
    improvement.

MetaboCoreUtils 0.0.1

  - Add utility functions to work with chemical formulas: pasteElements,
    countElements and standardizeFormula.
  - Add utility functions to convert between m/z and monoisotopic masses
    based on provided ion adduct information.