known_mf: Collection of known formulas, for which additional...
In ume: Ultrahigh-Resolution Mass Spectrometry Data Evaluation for Complex Organic Matter
known_mf R Documentation
Collection of known formulas, for which additional information is available.
Description
Known formulas; contains formulas for which additional knowledge is available.
This can be also calibration lists.
Due to size reasons the table is restricted to what is covered by standard UME formula library
(mz<=700, elements CHONSP considered).
The original version is part of the UME database and transferred to UME using UTF-8 encoding.
CRAM molecular formulas are taken from the supplementary material that is provided by Hertkorn et al. (2006).
Usage
known_mf
Format
A data.table with ~300,000 rows and 14 variables:
- mz
Mass to charge ratio (numeric)
- mf
molecular formula
Source
taken from www.awi.de
See Also
Other ume data:
lib_demo,
masses,
mf_data_demo,
nice_labels_dt,
peaklist_demo,
tab_ume_labels
Examples
data(known_mf)
ume documentation built on Dec. 13, 2025, 1:06 a.m.
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| known_mf | R Documentation |
Collection of known formulas, for which additional information is available.
Description
Known formulas; contains formulas for which additional knowledge is available. This can be also calibration lists. Due to size reasons the table is restricted to what is covered by standard UME formula library (mz<=700, elements CHONSP considered). The original version is part of the UME database and transferred to UME using UTF-8 encoding. CRAM molecular formulas are taken from the supplementary material that is provided by Hertkorn et al. (2006).
Usage
known_mf
Format
A data.table with ~300,000 rows and 14 variables:
- mz
Mass to charge ratio (numeric)
- mf
molecular formula
Source
taken from www.awi.de
See Also
Other ume data:
lib_demo,
masses,
mf_data_demo,
nice_labels_dt,
peaklist_demo,
tab_ume_labels
Examples
data(known_mf)
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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