Description Usage Format See Also Examples
Metadata and spectral data for SpecLibDolphin2011.
1 |
dolphin2011.spec
is a data frame containing the mass spectra. dolphin2011.meta
is a data frame containing the metadata. Structure images (.pgm
or .ppm
files) are in /inst/extdata/struct
.
The m/z labels in the mass spectrum refer to the most
abundant peak in the cluster. The peak m/z values listed in
the table refer to the monoisotopic peak in the cluster. “M”
refers to the molecular ion. Additional information is in LibraryReport
.
1 2 3 4 5 6 7 8 9 | ## Not run:
# Write .msp file
WriteMspFile(spectra = dolphin2011.spec,
metadata = dolphin2011.meta,
filename = "SpecLibDolphin2011.txt",
comment = "Contaminants in common dolphin (Delphinus delphis) blubber; 2006 Massachusetts stranding; Hoh E, et al., Environmental Science and Technology, 2012, 46 (15), 8001-8008. DOI: 10.1021/es301139q.")
## End(Not run)
|
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.