JSMS (the JSON MS file format) is a proposed JSON Lines format alternative to the commonly used MGF file format to exchange MS/MS information in proteomics. JSMS uses the widely supported Java Script Object Notation to simplify parsing of the MS/MS information. It also provides for straightforward extensions of the file format without requiring changes in parsers that are only interested in the data.
The MGF file format (Mascot Generic Format) was introduced by Matrix Science Inc. in the 1990's are an alternative to the then widely-used DTA format. DTA files each contain data from a single LC-MS/MS scan, so an MS/MS run would result in many DTA files. MGF allowed for the inclusion of any number of scans into a single file, making it a simpler alternative for sending all of the data from an LC-MS/MS run across a network for analysis. Both DTA and MGF file formats resulted in simple, structured text ASCII files that could be easily read using a text editor.
An example of a simple MGF file for a single MS/MS spectrum is shown here:
BEGIN IONS
PEPMASS=413.2661
CHARGE=1+
TITLE=MS/MS scan
189.48956 1.9
283.62076 3.4
301.22977 66.3
311.08008 1.3
399.99106 2.3
END IONS
The simplicity of this format has led to its widespread use in proteomics informatics projects.
The purpose of JSMS is to modernize this format and introduce the benefits of using JSON for lightweight data transfer.
JSMS is:
JSMS is NOT:
A JSMS example that records the information present in the MGF presented above is as follows:
{"format": "jsms 1.0", "source": "test.mgf", "created": "2019-02-24 13:16:33.306856"}
{"lv": 2, "pm": 413.2661, "pz": 1, "ti": "MS/MS scan", "sc": 1, "np": 5, "ms": [189.48956, 283.62076, 301.22977, 311.08008, 399.99106], "is": [1.9, 3.4, 66.3, 1.3, 2.3]}
{"validation": "sha256", "value": "42c2b93928c7d4306aa2f4fc6c817efcdb3cbdc4b308b73985bbf28a9cf7604f"}
Each line is a separate JSON object, which can be parsed without reference to the other lines. This feature of JSON Lines is important practically, because MS/MS data can be composed of millions of individual spectra. Such large objects can cause problems with some JSON parsers and the resulting data objects can be cumbersome.