Download JAR files tagged by spectra with all dependencies

MSDK module for calculating spectra similarity scores

These tests are in a separate package because they depend on both msdk-spectra-spectrumtypedetection and msdk-io-mzml modules. If we add the tests to the msdk-spectra-spectrumtypedetection module, it would create a dependency cycle.

A small set of math routines that can operate directly on the DataSet primitive for fitting, computing spectra, linear algebra, FIR/IIR filtering, and other functionalities common to signal processing.

A small set of math routines that can operate directly on the DataSet primitive for fitting, computing spectra, linear algebra, FIR/IIR filtering, and other functionalities common to signal processing.

The chart-fx charting library is an extension in the spirit of Oracle's XYChart and performance/time-proven JDataViewer charting functionalities. Emphasis was put on plotting performance for both large number of data points and real-time displays, as well as scientific accuracies leading to error bar/surface plots, and other scientific plotting features (parameter measurements, fitting, multiple axes, zoom, ...). The library also contains a small set of math routines that can operate directly on the DataSet primitive for fitting, computing spectra, linear algebra, FIR/IIR filtering, and other functionalities common to signal processing.

Maltcms, short for "Modular Application Toolkit for Chromatography Mass-Spectrometry" is an application framework mainly suited for developers working in the domain of bioinformatics for metabolomics and proteomics. Its aim is to provide reusable, efficient datastructures, abstracting from the various low-level data-formats like netcdf (ANDIMS), mzXML, mzData and mzML and providing consistent access to data features like mass spectra, chromatograms and metadata. Furthermore, Maltcms provides a platform for the implementation and execution of processing pipelines. New and existing algorithms can be easily implemented or included and executed together with existing processing elements.

The chart-fx charting library is an extension in the spirit of Oracle's XYChart and performance/time-proven JDataViewer charting functionalities. Emphasis was put on plotting performance for both large number of data points and real-time displays, as well as scientific accuracies leading to error bar/surface plots, and other scientific plotting features (parameter measurements, fitting, multiple axes, zoom, ...). The library also contains a small set of math routines that can operate directly on the DataSet primitive for fitting, computing spectra, linear algebra, FIR/IIR filtering, and other functionalities common to signal processing.

MassBank of America (MoNA), is an auto curating repository for storing, comparing and querying mass spectra of chemical compounds. It is metadata centric and it was designed to allow easy integration into other tools by utilize its REST based application programming interface. At the current time it contains over 200k predicted and 40k unique experimental mass spectra and their associated metadata. The predicted spectra were obtained by utilizing the lipid blast library and the experimental spectra were acquired from 30 different facilities all over the world, including several major research facilities in the United States and Japan. MoNA is utilizing the InChI Key as unique identifier for chemicals and is designed for easy scalability and expendability. This is realized by utilizing common applications like nginx, grails, AngularJS, postgresSQL and tomcat. MoNA is currently integrated in applications like MSDial, BinBase, MZMine and the statistics package R. This was accomplished by utilizing its REST based API, which is also utilized by its main AngularJS based web interface. We consider MoNA to be highly useful for crosslinking mass spectra in publications, identification of unknowns and integration in data acquisition software. This package provides you with access to the REST api of the main MoNA installation.