call_rainbow: Parse Agilent or Waters files with rainbow parser
In ethanbass/chromConverter: Chromatographic File Converter

call_rainbow

R Documentation

Parse Agilent or Waters files with rainbow parser

Description

Uses rainbow parsers to read in Agilent (.D) and Waters (.raw) files. If format_in is agilent_d or waters_raw, a directory of the appropriate format (.d or .raw) should be provided to file. If format_in is chemstation_uv a .uv file should be provided. Data can be filtered by detector type using the what argument.

Usage

call_rainbow(
  path,
  format_in = c("agilent_d", "waters_raw", "masshunter", "chemstation", "chemstation_uv",
    "chemstation_fid"),
  format_out = c("matrix", "data.frame", "data.table"),
  data_format = c("wide", "long"),
  by = c("detector", "name"),
  what = NULL,
  read_metadata = TRUE,
  metadata_format = c("chromconverter", "raw"),
  collapse = TRUE,
  precision = 1
)

Arguments

`path`	Path to file
`format_in`	Format of the supplied files. Either `agilent_d`, `waters_raw`, or `chemstation`.
`format_out`	R format. Either `matrix`, `data.frame`, or `data.table`.
`data_format`	Whether to return data in wide or long format.
`by`	How to order the list that is returned. Either `detector` (default) or `name`.
`what`	What types of data to return (e.g. `MS`, `UV`, `CAD`, `ELSD`). This argument only applies if `by == "detector"`.
`read_metadata`	Logical. Whether to attach metadata. Defaults to TRUE.
`metadata_format`	Format to output metadata. Either `chromconverter` or `raw`.
`collapse`	Logical. Whether to collapse lists that only contain a single element.
`precision`	Number of decimals to round mz values. Defaults to 1.