General comments about the use of CASCADE

This vignette describes the minimal requirements for Contextualization of untargeted Annotation with Semi-quantitative Charged Aerosol Detection for pertinent characterization of natural Extracts.

Pre-requisites

  • A file (.mzML) containing DDA MS data with an additional detector (PDA, ELSD, CAD)
  • A file (.csv) containing features, as obtained by mzmine
  • A file (.tsv) containing annotations, as obtained by TIMA

All coming steps admit you already installed cascade:

install.packages(
  "cascade",
  repos = c(
    "https://adafede.r-universe.dev",
    "https://taxonomicallyinformedannotation.r-universe.dev",
    "https://bioconductor.org/packages/release/bioc",
    "https://cloud.r-project.org"
  )
)

More details

More details are available in the following vignettes: