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MB Sample ID: SA237547
Local Sample ID: | 456 |
Subject ID: | SU002470 |
Subject Type: | Bacteria |
Subject Species: | Ruegeria pomeroyi |
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NMR:
NMR ID: | NM000256 |
Analysis ID: | AN003880 |
Instrument Name: | Bruker |
Instrument Type: | FT-NMR |
NMR Experiment Type: | 1D-1H |
NMR Comments: | Analysis protocol: Instrument – Metabolites were analyzed by nuclear magnetic resonance (NMR) spectroscopy using a Bruker Avance lll 600 MHz spectrometer equipped with a 5-mm TCI cryoprobe. Data acquisition– Data were acquired by a one dimensional 1H experiment with water suppression (noesypr1d, Bruker) at 298K using TopSpin 3.6.4 (Bruker). For only glycerol, 1H J-resolved experiment (jresgpprqf) was used to avoid overlapping background peaks. Acquisition parameters are in ‘6_Acquisition and processing parameters_UGA_mutant_Nov2022.xlsx. Specific pulse programs used for individual samples are in ‘1_Study design_UGA_mutant_Nov2022.xlsx. Data processing – The raw Bruker spectra were processed using NMRPipe on NMRbox. For Jres, spectra were further symmetrized and tilted. Detailed spectrum processing parameters for individual NMR experiments are in ‘6_Acquisition and processing parameters_UGA_mutant_Nov2022.xlsx. NMRPipe scripts are available in folder ‘Data_analysis’. Downstream data analysis: Downstream analysis was conducted using Metabolomics Toolbox (https://github.com/artedison/Edison_Lab_Shared_Metabolomics_UGA) and MATLAB R2022a (MathWorks). All the input files, processing steps and scripts, and the output files are available in folder ‘Data_analysis’. |
Spectrometer Frequency: | 600 MHz |