METHOD AND SYSTEM FOR SPECTRAL DATA ANALYSIS

1 . A method for processing data representing a characteristic of proteins, peptides, and/or peptoids, the method comprising:

obtaining spectral data of the proteins, peptides, and/or peptoids with respect to an applied perturbation;

applying two-dimensional co-distribution (2DCDS) analysis to generate an asynchronous co-distribution plot for the proteins, peptides, and/or peptoids;

identifying in the asynchronous co-distribution plot a cross peak that correlates with an auto peak associated with aggregation of the proteins, peptides, and/or peptoids; and

using the cross peak to determine an order of a distributed presence of spectral intensities with respect to the applied perturbation.

2 . The method of claim 1 , wherein using the cross peak comprises:

determining, for two wavenumbers v 1 and v 2 , whether the cross peak corresponding to the two wavenumbers has a positive value; and

when the cross peak has a positive value, determining that a presence of spectral intensity at v 1 is distributed within an interval of the applied perturbation that is lower than an interval within which a presence of spectral intensity at v 2 is distributed.

3 . The method of claim 1 , wherein using the cross peak comprises:

determining, for two wavenumbers v 1 and v 2 , whether the cross peak corresponding to the two wavenumbers has a negative value; and

when the cross peak has a negative value, determining that a presence of spectral intensity at v 2 is distributed within an interval of the applied perturbation that is lower than an interval within which a presence of spectral intensity at v 1 is distributed.

4 . (canceled)

5 . The method of claim 1 , wherein an asynchronous co-distribution intensity in the asynchronous co-distribution plot is represented as a difference in distributions of two spectral signals.

6 . The method of claim 1 , wherein the applied perturbation is time, temperature, concentration, or pressure.

7 . The method of claim 1 , further comprising:

applying the two-dimensional co-distribution (2DCDS) analysis to generate a synchronous co-distribution plot for the proteins, peptides, and/or peptoids;

identifying, in the synchronous co-distribution plot, synchronous co-distribution peaks associated with aggregation of the proteins, peptides, and/or peptoids; and

using the synchronous co-distribution peaks to determine a degree of overlap of distribution patterns for spectral intensities with respect to the applied perturbation.

8 . The method of claim 1 , wherein using the synchronous co-distribution peaks comprises: determining, for two wavenumbers v 1 and v 2 , whether the synchronous co-distribution peaks corresponding to the two wavenumbers are within a range.

9 . The method of claim 1 , further comprising:

applying two-dimensional correlation (2DCOS) analysis, generating a synchronous correlation plot and an asynchronous correlation plot for the proteins, peptides, and/or peptoids;

identifying, in the synchronous correlation plot, positive cross peaks that correlate with auto peaks associated with aggregation of the proteins, peptides, and/or peptoids; and

using identified peak intensities of the spectral data to determine an amount of aggregation of the proteins, peptides, and/or peptoids.

10 . The method of claim 9 , further comprising comparing the amount of aggregation of the proteins, peptides, and/or peptoids to an order of a distributed presence of spectral intensities with respect to the applied perturbation.

11 . (canceled)

12 . (canceled)

13 . The method of claim 1 , further comprising determining a size and a number of particulates to ascertain population distribution of the particulates.

14 . The method of claim 1 , further comprising analyzing the spectral data to verify signal-to-noise ratio, perform a baseline correction, determine water vapor content, and/or determine signal intensity within a spectral region.

15 . The method of claim 1 , further comprising generating covariance or dynamic spectral data based on perturbation of a sample.

16 . The method of claim 1 , further comprising correlating changes, comprising peak intensities, in the spectral data that are in-phase with one another as obtained in the synchronous plot.

17 . (canceled)

18 . (canceled)

19 . (canceled)

20 . The method of claim 1 , further comprising determining a minimum number of underlying spectral contributions in a band, performing curve fitting analysis, and determining a secondary structure composition of a sample.

21 . (canceled)

22 . The method of claim 1 , further comprising correlating changes, comprising peak intensities, in the spectral data that are out-of-phase from one another as obtained in the asynchronous plot.

23 . The method of claim 1 , further comprising determining the presence and/or extent of deamination of amino acid side chains in the proteins, peptides, and/or peptoids.

24 . The method of claim 1 , further comprising determining the stability of domains in the proteins, peptides, and/or peptoids.

25 . A system for processing data representing a characteristic of proteins. peptides, and/or peptoids, the system comprising:

a data acquisition module configured to obtain spectral data of the proteins. peptides, and/or peptoids with respect to an applied perturbation; and

a correlation analysis module configured to:

apply two-dimensional co-distribution (2DCDS) analysis to generate an asynchronous co-distribution plot for the proteins, peptides, and/or peptoids;

identify in the asynchronous co-distribution plot a cross peak that correlates with an auto peak associated with aggregation of the proteins, peptides, and/or peptoids; and

use the cross peak to determine an order of a distributed presence of spectral intensities with respect to the applied perturbation.

26 . The system of claim 25 , further comprising a visual model generator for generating one or more plots for display.

27 . (canceled)

28 . (canceled)

29 . Non-transitory computer-readable medium comprising instructions which, when executed by one or more computers, cause the one or more computers to:

obtain spectral data of the proteins, peptides, and/or peptoids with respect to an applied perturbation;

apply two-dimensional co-distribution (2DCDS) analysis to generate an asynchronous co-distribution plot for the proteins, peptides, and/or peptoids;

identify in the asynchronous co-distribution plot a cross peak that correlates with an auto peak associated with aggregation of the proteins, peptides, and/or peptoids; and

use the cross peak to determine an order of a distributed presence of spectral intensities with respect to the applied perturbation.