Welcome to the Urine Shift Predictor (test version)
This is the FREE test-version of the Urine Shift Predictor. It is accessible for free, as a courtesy to the NMR metabolomics community, until it will be fully validated, released and incorporated in the Bruker IVDr platform. This will happen in the near future. We only ask as a favor to please provide feedback – positive or negative – indicating either satisfaction or possible problems and issues, so that we can try to address them at best. As the predictor also provides estimates of inorganic ion concentrations, we would be grateful if you could provide us, after obtaining our results, with independently measured concentrations if you have them. All development and validation spectra have been acquired using Bruker BioSpin IVDr-Methods. Therefore we recommend to add this to your 600 MHz system, if you do not have it yet.
Please upload only your 1D spectra (Bruker format) in one folder (no spaces in the folder name), as a .zip file.
Please do not include more than
100
spectra in the .zip file.
If you want to analyze more than 100 spectra, please contact us to discuss the application.
In order to benefit from the free test service, we also ask for a written statement to not pass on results obtained to commercial software providers other than Bruker BioSpin.
To download an example .zip file containing Urine 1D NMR spectra for
automatic
calculation, click
here
.
For an example file containing Urine 1D spectra and the input file (5peaks.xlsx) for
manual
calculation, click
here
.
Select ZIP file with the NMR spectra(*)(**)
PIN(*)(***)
(*)Fields are mandatory
(**)The .zip file for manual calculation must contain the spectra and a file named 5peaks.xlsx (see the example).
(***)To ask for a pin please send an email to takis.panteleimon AT gmail.com with subject: PIN for urine predictor
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