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NMRLab specifications


Unique identifier OMICS_02849
Name NMRLab
Software type Toolkit/Suite
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages MATLAB
Computer skills Advanced
Stability No
Maintained Yes


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Publication for NMRLab

NMRLab citations


Oxygen gradients can determine epigenetic asymmetry and cellular differentiation via differential regulation of Tet activity in embryonic stem cells

Nucleic Acids Res
PMCID: 5814828
PMID: 29186571
DOI: 10.1093/nar/gkx1197

[…] 32 k data points with acquisition time of 1.67 s, relaxation delay of 5 s and 128 scans. resulting spectra were processed to 65 536 data point and corrected for phasing and zero referencing using nmrlab (). resonance assignments and quantification were made with reference to chenomx nmr suite 7.1 (chenomx). samples were normalised to total protein, determined by a bradford assay (thermo […]


Changes in human hepatic metabolism in steatosis and cirrhosis

PMCID: 5403747
PMID: 28487605
DOI: 10.3748/wjg.v23.i15.2685

[…] (tmsp) as an internal chemical shift standard. 1d-1h-noesy spectra were collected at 298 k with a 12 ppm spectral width, 32k data points and 256 scans., spectra were processed using nmrlab and metabolab programmes[,] within matlab, version r2015b (mathworks, massachusetts, united states). briefly, the first data point was multiplied by 0.5, a line-broadening window function […]


Metabolomic profiling predicts outcome of rituximab therapy in rheumatoid arthritis

PMCID: 5013418
PMID: 27651926
DOI: 10.1136/rmdopen-2016-000289

[…] spectrometer (bruker biospin, billerica, massachusetts, usa) equipped with a 5 mm tci cryogenically cooled probe and an autosampler at 30°c. following acquisition, spectra were processed using nmrlab and metabolab. metabolite assignment and quantification were performed using several database. , uplc–ms analysis on lipid fraction was performed on a q exactive hybrid quadrupole-orbitrap […]


Malonate as a ROS product is associated with pyruvate carboxylase activity in acute myeloid leukaemia cells

PMCID: 4972992
PMID: 27493727
DOI: 10.1186/s40170-016-0155-7

[…] increments, two scans and an inter-scan delay of 1.5 s were used. the 13c carrier was set to 80 ppm and a spectral width 159.0 ppm was used., all one-dimension spectra were processed using nmrlab [] in matlab and further analysed using metabolab [] as described before []. in hsqc spectra peaks were picked and assigned in a semi-automated manner using metabolab. to calculate percentage […]


Tracer‐Based Metabolic NMR‐Based Flux Analysis in a Leukaemia Cell Line

PMCID: 4916734
PMID: 27347458
DOI: 10.1002/cplu.201500549

[…] with a spectral width of 159.0 ppm. spectra were acquired with two scans and an interscan delay of 1.5 s, giving a total experiment time of approximately 4 h. all spectra were processed using nmrlab in matlab. cosine‐squared window functions were applied to both dimensions., peaks were picked in a semi‐automated manner using metabolab. to calculate percentage label incorporations, […]


Volume Determination with Two Standards Allows Absolute Quantification and Improved Chemometric Analysis of Metabolites by NMR from Submicroliter Samples

Anal Chem
PMCID: 3871890
PMID: 24251761
DOI: 10.1021/ac403111s

[…] bandwidth) centered on the water resonance, 0.1 ms mixing time, and 4 s acquisition time at 25 °c. for chemometric analysis the data sets were zero-filled, fourier-transformed and phase corrected in nmrlab. spectra were then transferred to metabolab, and baseline correction was applied using common control points. analyte peaks were aligned using icoshift() and signals for background […]

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NMRLab institution(s)
J W Goethe University, Frankfurt, Institute for Biophysical Chemistry, Biocentre, Frankfurt, Germany

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