Allows users to handle multidimensional nuclear magnetic resonance (NMR) data. Nmrglue is a module whose main functions are reading, writing, and interacting with spectral data from multiple commons formats: Bruker, Nmrpipe, Sparky ,Varian/Agilent, Simpson, Rowland. Moreover, the software also includes several common functions for processing the submitted data such as apodization, spectral shifting, or baseline smoothing and flattening. Besides, additional data formats can be implemented.
Allows to convert metabolomic studies in .mzML and .imzML format to the open ISA-Tab standard. mzML2ISA reduces the time needed to capture metadata substantially (capturing 90% of metadata on assay and sample levels), is much less prone to user input errors, improves compliance with minimum information reporting guidelines. It facilitates more finely grained data exploration and querying of datasets.
Generates an ISA-Tab structured investigation out of nmrML files. nmrML2ISA reduces the time needed to capture metadata substantially (capturing 90% of metadata on assay and sample levels), is much less prone to user input errors. It improves compliance with minimum information reporting guidelines and facilitates more finely grained data exploration and querying of datasets.
Visualizes spectral data files and their associated data resulting from the Bruker's OPUS, JCAMP-DX and Galactic Grams platforms. OPUS Viewer is an application that can’t be used in conjunction with a primary OPUS installation. It can be used for the displaying of interferograms, reports containing the evaluation results, measurement parameters, audit trails, signatures.