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Automatic phase correction of metabolite mixture NMR spectra. The spectra were acquired on a 600 MHz Bruker IVDr equipped with a room-temperature inverse probe. NMR spectra of sample 1 are plotted in blue, from sample 2 in red, from sample 3 in green, from sample 4 in black, and from sample 5 in gray. Panel ( a ) shows the NMR spectra before phase correction. Panel ( b ) depicts the spectra after automatic phase correction using the algorithm described in . The blue spectrum in panel ( c ) was manually phase-corrected; all other spectra were then automatically phase-corrected with the blue spectrum as reference.

Journal: Metabolites

Article Title: MetaboLabPy—An Open-Source Software Package for Metabolomics NMR Data Processing and Metabolic Tracer Data Analysis

doi: 10.3390/metabo15010048

Figure Lengend Snippet: Automatic phase correction of metabolite mixture NMR spectra. The spectra were acquired on a 600 MHz Bruker IVDr equipped with a room-temperature inverse probe. NMR spectra of sample 1 are plotted in blue, from sample 2 in red, from sample 3 in green, from sample 4 in black, and from sample 5 in gray. Panel ( a ) shows the NMR spectra before phase correction. Panel ( b ) depicts the spectra after automatic phase correction using the algorithm described in . The blue spectrum in panel ( c ) was manually phase-corrected; all other spectra were then automatically phase-corrected with the blue spectrum as reference.

Article Snippet: The 1D- 1 H NMR spectra were acquired using the Bruker standard sequence noesygppr1d.

Techniques:

The data pre-processing options in MetaboLabPy include separate alignments for small sections of NMR spectra. NMR spectra from sample 1 are plotted in blue, from sample 2 in red, from sample 3 in green, and from sample 4 in black. The spectra displayed here are from Daphnia extracts. The spectra were acquired on a Bruker 600 MHz Avance III system equipped with a 1.7 mm CryoProbe. Panel ( a ) shows the spectra before segmental alignment, and panel ( b ) plots the spectra after alignment. Areas of the spectra shown as zero will be excluded from statistical analysis.

Journal: Metabolites

Article Title: MetaboLabPy—An Open-Source Software Package for Metabolomics NMR Data Processing and Metabolic Tracer Data Analysis

doi: 10.3390/metabo15010048

Figure Lengend Snippet: The data pre-processing options in MetaboLabPy include separate alignments for small sections of NMR spectra. NMR spectra from sample 1 are plotted in blue, from sample 2 in red, from sample 3 in green, and from sample 4 in black. The spectra displayed here are from Daphnia extracts. The spectra were acquired on a Bruker 600 MHz Avance III system equipped with a 1.7 mm CryoProbe. Panel ( a ) shows the spectra before segmental alignment, and panel ( b ) plots the spectra after alignment. Areas of the spectra shown as zero will be excluded from statistical analysis.

Article Snippet: The 1D- 1 H NMR spectra were acquired using the Bruker standard sequence noesygppr1d.

Techniques: