reorganize_mona: Reorganize MoNA library
In QizhiSu/mspcompiler: Compile Mass Spectral Libraries from Various Sources
View source: R/organize_libraries_EI_and_MS2.R
reorganize_mona R Documentation
Reorganize MoNA library
Description
reorganize_mona offers a way to reorganize MoNA libray,
mainly to retrieve SMILES from the "Comments" field.
Usage
reorganize_mona(lib)
Arguments
lib
The MoNA library generated by read_lib.
Details
The msp file from MoNA has no "SMILES" field but has SMILES information
stored in the "Comments" field. Therefore, This function tries to retrieve
SMILES from the "Comments" field. This function supports parallel computing.
Value
A List with SMILES retrieved.
QizhiSu/mspcompiler documentation built on May 7, 2024, 4:25 a.m.
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View source: R/organize_libraries_EI_and_MS2.R
| reorganize_mona | R Documentation |
Reorganize MoNA library
Description
reorganize_mona offers a way to reorganize MoNA libray,
mainly to retrieve SMILES from the "Comments" field.
Usage
reorganize_mona(lib)
Arguments
lib |
The MoNA library generated by |
Details
The msp file from MoNA has no "SMILES" field but has SMILES information stored in the "Comments" field. Therefore, This function tries to retrieve SMILES from the "Comments" field. This function supports parallel computing.
Value
A List with SMILES retrieved.
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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