Methods for providing a predictive model for spectroscopy and calibrating a spectroscopic device

2:

• The computer-implemented method (100) according to claim 1, wherein the predictive model is also determined (130) on the basis of the obtained spectral measurements of samples (320) of the target population.

3:

• The computer-implemented method (100) according to claim 1, wherein the step of obtaining (110) further comprises
• obtaining (111) one or more response measurements of the samples (320) of the target population,
• wherein each response measurement comprises one response value, and wherein the predictive model is also determined (130) on the basis of the obtained response values.

4:

• The computer-implemented method (100) according to claim 1, wherein the spectral and response measurements refer to one type of near-infrared spectroscopy, mid-infrared spectroscopy, Raman spectroscopy, Nuclear Magnetic Resonance spectroscopy or any other similar optical or emission-based spectroscopy, and wherein the model is provided for the same type of spectroscopy.

5:

• The computer-implemented method (100) according to claim 1, wherein the database search (120) is performed using an optimization method, preferably based on evolutionary search algorithms and/or sample similarity measurements.

6:

• The computer-implemented method (100) according to claim 1, wherein the step of determining (130) the predictive models is performed by machine learning and/or chemometrics methods.

7:

• The computer-implemented method (100) according to claim 1, further comprising packing (140) the predictive model into a spectroscopic application having a proprietary data format.

9:

• The method (200) according to claim 8,
• wherein the step of acquiring (210) further comprises acquiring (211), by the spectroscopic device (310), one or more response measurements of the samples (320) of the target population, and
• wherein the step of uploading (220) further comprises uploading (221) the acquired response measurements.

10:

• The method (200) according to claim 8, wherein the spectroscopic device (320) is one of a near-infrared spectroscopy device, a mid-infrared spectroscopy device, a Raman spectroscopy device, a Nuclear Magnetic Resonance spectroscopy device or any other similar optical or emission-based spectroscopy device.

12:

• A computer program product including a program for a processing device, comprising software code portions for performing the steps of claim 1 when the program is run on the processing device.

13:

• The computer program product according to claim 12, wherein the computer program product comprises a computer-readable medium on which the software code portions are stored, wherein the program is directly loadable into an internal memory of the processing device.

14-15. (canceled)

16:

• A device configured to perform the computer-implemented method according to claim 1.