IDSL.MXP (>= 1.4), xml2, RNetCDF, base64enc, IDSL.IPA (>=
2.1), stats, grid, readxl, parallel, doParallel, foreach, GA,
ggplot2, gridExtra
A pipeline to annotate peaklists from the IDSL.IPA package with molecular formula using an isotopic profile matching approach. The IDSL.UFA pipeline is especially beneficial when MS/MS data is not available. The IDSL.UFA package has functions to process user-defined adduct formulas.

A pipeline to annotate peaklists from the IDSL.IPA package with molecular formula of a prioritized chemical space using an isotopic profile matching approach. The IDSL.UFA pipeline only requires MS1 for formula annotation.

IDSL.IPA (>= 2.1), doParallel, foreach, readxl

Exhaustive Chemical Enumeration for Ultimate Formula Annotation
Rcpp, BiocManager, mzR, readxl, parallel, doSNOW, foreach,
stringr, RcppAlgos, IDSL.IPA (>= 1.3), IDSL.UFA
A pipeline to annotate a number of peaks from the IDSL.IPA peaklists using a exhaustive chemical enumeration-based approach.

Exhaustive Chemical Enumeration for United Formula Annotation
IDSL.MXP, xml2, base64enc, IDSL.IPA (>= 1.4), IDSL.UFA (>=
1.1), stats, readxl, parallel, doSNOW, foreach, RcppAlgos

IDSL.MXP (>= 1.2), xml2, RNetCDF, base64enc, IDSL.IPA (>=
1.5), IDSL.UFA (>= 1.2), stats, readxl, parallel, doParallel,
foreach, RcppAlgos
A pipeline to annotate a number of peaks from the IDSL.IPA peaklists using an exhaustive chemical enumeration-based approach. This package can perform elemental composition using following 15 elements : C, B, Br, Cl, K, S, Se, Si, N, H, As, F, I, Na, O, and P.

IDSL.MXP (>= 1.4), xml2, RNetCDF, base64enc, IDSL.IPA (>=
1.7), IDSL.UFA (>= 1.4), stats, readxl, parallel, doParallel,
foreach, RcppAlgos
A pipeline to annotate a number of peaks from the IDSL.IPA peaklists using an exhaustive chemical enumeration-based approach. This package can perform elemental composition calculations using following 15 elements : C, B, Br, Cl, K, S, Se, Si, N, H, As, F, I, Na, O, and P.

A pipeline to annotate a number of peaks from the IDSL.IPA peaklists using an exhaustive chemical enumeration-based approach. This package can perform elemental composition calculations using the following 15 elements : C, B, Br, Cl, K, S, Se, Si, N, H, As, F, I, Na, O, and P.