NEWS.md

In cliqueMS: Annotation of Isotopes, Adducts and Fragmentation Adducts for in-Source LC/MS Metabolomics Data

0.3.1

Vignette modified due to new 'xcsm' package, inside new R version 3.6.

0.3.0

New methods for functions 'anClique' and 'createNetwork'. Methods 'anClique.XCMSnExp' and 'createNetwork.XCMSnExp' developed for mz processed objects of class 'XCMSnExp' from xcms package. In addition, a new internal function has been created to compute cosine similarity. Therefore, now the installation of package 'CAMERA' is in 'Suggests', because is only needed for analysing processed mzdata with the older 'xcmsSet' class of 'xcms'.

0.2.4

Function "getAnnotation" now it is more accurate, because for isotopic features, it uses charge information from "getIsotopes" function.

0.2.3

Function "computeCliques" corrected, there was a small bug in the "step" variable. Function "getIsotopes" corrected, bug when "filterIso" leave no isotopes in the group. In function "filterIso", small bug corrected. maxGrade parameter was not working correctly, fixed for function "getIsotopes".

0.2.2 Function "getIsotopes" updated: there was a bug when the sample had no isotopes, now corrected. Function "getAnnotation" updated: there was a bug when the sample had no isotopes, now corrected.

0.2.1 First version of cliqueMS

cliqueMS documentation built on May 1, 2019, 6:32 p.m.