A parser to read total ion chromatogram data streams from the quadrupole
time-of-flight (QTFL RawData) container of 'Shimadzu' .lcd files. Triple
quadrupole files store their TIC differently and are read by
read_sz_tlm_tic instead. LCD files are encoded as 'Microsoft' OLE
documents. The parser relies on the
olefile package in Python to unpack the
files. The TIC data is encoded in a stream called Centroid SumTIC, which
opens with an 8-byte header and holds one 16-byte record per scan: three
4-byte little-endian integers — the retention time in milliseconds, the
scan number and the intensity — followed by a 4-byte spacer
(00000000). Retention times are converted to minutes, as elsewhere in the
package.
Usage
read_sz_qtof_tic(
path,
format_out = "data.frame",
data_format = c("wide", "long"),
read_metadata = TRUE,
metadata_format = "shimadzu_lcd"
)