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metabolyseR - Methods for Pre-Treatment, Data Mining and Correlation Analyses of Metabolomics Data

A tool kit for pre-treatment, modelling, feature selection and correlation analyses of metabolomics data.

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metabolomics

3.78 score 1 dependents 7 scripts

pdi - Phenotypic Index Measures for Oak Decline Severity

Oak declines are complex disease syndromes and consist of many visual indicators that include aspects of tree size, crown condition and trunk condition. This can cause difficulty in the manual classification of symptomatic and non-symptomatic trees from what is in reality a broad spectrum of oak tree health condition. Two phenotypic oak decline indexes have been developed to quantitatively describe and differentiate oak decline syndromes in Quercus robur. This package provides a toolkit to generate these decline indexes from phenotypic descriptors using the machine learning algorithm random forest. The methodology for generating these indexes is outlined in Finch et al. (2121) <doi:10.1016/j.foreco.2021.118948>.

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declineindexoakphenotyping

3.70 score 3 scripts 186 downloads

binneR - Spectral Processing for High Resolution Flow Infusion Mass Spectrometry

A spectral binning approach for flow infusion electrospray high resolution mass spectrometry (FIE-HRMS) metabolome fingerprinting data. The methodology for this approach is outlined in Finch et al. (2022) <doi:10.1007/s11306-022-01923-6>.

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massspectrometrymetabolomicsfie-hrmsfingerprintinghigh-resolution-mass-spectrometrymass-spectrometryspectral-binning

3.34 score 4 stars 11 scripts 21 downloads

assignments - Molecular Formula Assignment For High Resolution ESI-MS Based Metabolomics Data

A molecular formula assignment approach for electrospray ionisation high resolution mass spectrometry based metabolomics data.

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2.70 score 1 stars 3 scripts

grover - Web API Framework for Mass Spectrometry Data Transfer

A web based API framework for hosting and interfacing a mass spectrometry raw data data repository. Transfer files, retrieve file information, convert raw mass spectromery data to .mzML format and retrieve sample information from .raw file headers.

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massspectrometrymetabolomics

1.70 score 6 scripts