Molecular spectrum networking tutorial dataset (for MS-DIAL5)
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This dataset is designed for use with molecular spectrum and its accompanying tutorial. It contains: Raw data files(*.abf) of hydrophilic profiling of wine Output files (*_20240130* and AlignmentResult_2024_01_30_09_*) generated by MS-DIAL analysis A library file(*.msp) for metabolite annotation To reproduce the tutorial results: Load the project in MS-DIAL: Open the For_Molecular_Spectrum_Networking.mdproject file. Please note that it is necessary that the MS-DIAL analysis output files (*_20240130* and AlignmentResult_2024_01_30_09_*) are also located in the same folder. Follow the tutorial instructions: Proceed through the tutorial steps to analyze the data and achieve the same results.
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Zenodo创建时间:
2024-02-05



