公开(公告)号：US20220026350A1

公开(公告)日：2022-01-27

申请号：US17311911

申请日：2019-12-13

Applicant: Evonik Operations GmbH

Inventor： Ingolf REIMANN ,  Joachim REISING ,  Christoph MUELLER

IPC: G01N21/27 ,  G01J3/28

Abstract: The present invention relates to a computer-implemented method for identifying an incorrectly or non-calibrated infrared spectrometer, comprising the steps of a) recording an infrared spectrum of a sample with a first infrared spectrometer to provide a sample infrared spectrum, b) recording an infrared spectrum of the same sample as in step a) with a second infrared spectrometer to provide a reference infrared spectrum, wherein said second spectrometer is a correctly calibrated infrared spectrometer, or b′) providing a reference spectrum of the same sample as in step a), wherein said reference spectrum was recorded on a second infrared spectrometer, which is a correctly calibrated spectrometer, c) determining a difference between the wavelength of each extreme point in the sample of step a) and the wavelength of each extreme point in the reference spectrum of step b) or b′), and d) indicating the infrared spectrometer of step a) as incorrectly calibrated or non-calibrated, when at least one difference was determined in step c).

公开(公告)号：US20220244173A1

公开(公告)日：2022-08-04

申请号：US17621964

申请日：2020-06-23

Applicant: Evonik Operations GmbH

Inventor： Ingolf REIMANN ,  Joachim REISING ,  Christoph MÜLLER

IPC: G01N21/35 ,  A23K40/00 ,  G01N33/02

Abstract: A computer-implemented method for predicting a feedstuff and/or feedstuff raw material is described. The method comprises providing a near infrared (NIR) spectrum of a sample of an unknown feedstuff raw material and/or feedstuff. The absorption intensities of wavelengths or wavenumbers in the spectrum are transformed to give a query vector. A set of database vectors of a population of spectra of known feedstuff raw materials and/or feedstuffs is also provided, and these comprise at least 50 spectra of samples of each feedstuff and/or feedstuff raw material from each of its global growing areas. The similarity between the query vector and each of database vectors is analyzed to produce a score, and the feedstuff raw material and/or feedstuff of the database vector with the highest score is assigned to the sample.

公开(公告)号：US20230194415A1

公开(公告)日：2023-06-22

申请号：US17768431

申请日：2020-10-05

Applicant: Evonik Operations GmbH

Inventor： Ingolf REIMANN ,  Joachim REISING

IPC: G01N21/27 ,  G01N21/359 ,  G06F17/16 ,  G06F18/214 ,  G16C60/00 ,  G16C20/20 ,  G16C20/30

CPC classification number: G01N21/274 ,  G01N21/359 ,  G06F17/16 ,  G06F18/214 ,  G16C60/00 ,  G16C20/20 ,  G16C20/30 ,  G01N2201/129 ,  G01J2003/2866

Abstract: The present invention relates to a computer-implemented method for predicting a property value of interest in a sample investigated by infrared spectroscopy. The method aims at generating a calibration function. To this end, a set of calibration samples is selected, whereby outliers are identified and removed from the set of calibration samples. Outliers are determined using principal component analysis and singular value decomposition. The threshold value separating outliers from the remaining samples is calculated on the basis of a predetermined formulae. The threshold value may also be increased stepwise in order to dynamically set the threshold value, which is preferable for spectroscopic devices not operated under laboratory conditions.

公开(公告)号：US20230030479A1

公开(公告)日：2023-02-02

申请号：US17758994

申请日：2021-01-22

Applicant: Evonik Operations GmbH

Inventor： Ingolf REIMANN ,  Ansgar JAEGER ,  Joachim REISING ,  Andrea STIER ,  Anne LOTZ

IPC: G01N21/31 ,  G01J3/02 ,  G01J3/28

Abstract: A method for evaluating spectra of a biological substance of animal and/or vegetable origin, may include (a) detecting a spectrometer in a network formed of at least one spectrometer and an input/output device, (b) requesting the individual status of each spectrometer in the network of (a), and displaying the detected spectrometers and their status on the input/output device, the status reflecting if a spectrometer is available for recording a spectrum or not, (c) receiving a selection from the spectrometers being available for recording a spectrum on the input/output device, (d) recording a spectrum of a sample material of animal origin, vegetable origin or a mixture thereof on the spectrometer selected in (c), (e) predicting a value for at least one parameter from the spectrum of (d) by a calibration function and/or calibration graph suitable for predicting the parameter value, and (e) displaying the result from (e) on the input/output device.

公开(公告)号：US20220261399A1

公开(公告)日：2022-08-18

申请号：US17622140

申请日：2020-06-23

Applicant: Evonik Operations GmbH

Inventor： Ingolf REIMANN ,  Joachim REISING ,  Christoph MUELLER

IPC: G06F16/2458 ,  G06F16/2457 ,  G01N21/359

Abstract: A computer-implemented method for predicting a feedstuff and/or feedstuff raw material is described. The method comprises providing a near infrared (NIR) spectrum of a sample of an unknown feedstuff raw material and/or feedstuff. The absorption intensities of wavelengths or wavenumbers in the spectrum are transformed to give a query vector. A set of database vectors of a population of spectra of known feedstuff raw materials and/or feedstuffs is also provided, and an outlier database vector is removed based on different comparison methods. The similarity between the query vector and each of database vectors is analyzed to produce a similarity value, and the feedstuff raw material and/or feedstuff of the database vector with the highest similarity is assigned to the sample.