The primary goal of the 'mssearchr' package is to enhance the capabilities of R users for conducting library searches against electron ionization mass spectral databases.
The 'mssearchr' package offers the following tools:
- custom implementation of the Identity (EI Normal) algorithm;
- custom implementation of the Similarity (EI Simple) algorithm;
- library search via NIST API (i.e., by calling the nistms$.exe file);
- reading/writing msp files.