AlpsNMR is an R package that can load Bruker and JDX samples as well as preprocess them.
It includes functions for region exclusion, normalization, peak detection & integration and outlier detection among others. See the package vignette for details.
AlpsNMR can be installed with the
devtools package. For this is needed Rtools and note that it uses packages from CRAN, from BioConductor and from git repositories:
If you already have Rtools, follow this to install AlspNMR:
if (!"BiocManager" %in% rownames(installed.packages())) install.packages("BiocManager") BiocManager::install(c("MassSpecWavelet", "impute"), update = FALSE) if (!"devtools" %in% rownames(installed.packages())) install.packages("devtools") devtools::install_github("sipss/AlpsNMR")
If you need install Rtools: Follow steps of Rtools website [Rtools web]
Don’t forget the additional step, Putting Rtools on the PATH.