Dynamic data correction method and apparatus for generating a high-resolution spectrum
AssigneeAcademia Sinica
InventorsYi-Sheng WANG, Chih-Hao HSIAO
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Abstract
Disclosed herein are methods and apparatus for reducing errors in spectroscopic measurements. The present method minimizes errors by aligning peak positions and recalculating intensities in every single-scan spectrum with reference to spectral features observed in the spectrum integrating all uncorrected single-scan spectra. Additionally, the corrected single-scan spectra are integrated to improve the resolving power, signal intensity and peak shape.
Claims26
A computer implemented method for generating a high-resolution spectrum from a plurality of single-scan (SS) spectra, comprising:
- (a) providing a reference spectrum;
- (b) finding a target peak consisting of a plurality of data points with each of the data points having a first x coordinate from one of the plurality of SS spectra within a first interval (Δe), in which the first interval (Δe) is determined by the width of a corresponding reference peak in the reference spectrum at 1-99% of the peak height;
- (c) aligning the found target peak of the step (b) with the corresponding reference peak;
- (d-1) moving the data points that are independently above a threshold relative to the peak maximum of the aligned target peak of the step (c) via interpolation, and resampling the data points with the first x coordinate;
- or
- (d-2) moving the data points that are independently above a threshold relative to the peak maximum of the aligned target peak of the step (c) linearly with the peak maximum, and resampling the data points with the first x coordinate;
- (e) repeating the steps (b) to (d-1) or the steps (b) to (d-2) until no target peak is found in the step (b) and generating a corrected SS spectrum;
- (f) repeating the step (e) for a plurality of times to produce a plurality of the corrected SS spectra;
- and
- (g) integrating the plurality of the corrected SS spectra of step (f) and thereby generating the high-resolution spectrum.
An apparatus for generating a high-resolution spectrum comprising a processor, and a tangible memory operably linked to the processor, wherein
- the tangible memory is configured to store spectra and instructions to generate the high-resolution spectrum;
- and
- the processor is configured to execute the instructions stored in the tangible memory by implementing the actions of:
- (a) providing a reference spectrum;
- (b) finding a target peak consisting of a plurality of data points with each of the data points having a first x coordinate from one of the plurality of SS spectra within a first interval (Δe), in which the first interval (Δe) is determined by the width of a corresponding reference peak in the reference spectrum at 1-99% of the peak height;
- (c) aligning the found target peak of the step (b) with the corresponding reference peak;
- (d-1) moving the data points that are independently above a threshold relative to the peak maximum of the aligned target peak of the step (c) via interpolation, and resampling the data points with the first x coordinate;
- or
- (d-2) moving the data points that are independently above a threshold relative to the peak maximum of the aligned target peak of the step (c) linearly with the peak maximum, and resampling the data points with the first x coordinate;
- (e) repeating the steps (b) to (d-1) or the steps (b) to (d-2) until no target peak is found in the step (b) and generating a corrected SS spectrum;
- (f) repeating the step (e) for a plurality of times to produce a plurality of the corrected SS spectra;
- and
- (g) integrating the plurality of the corrected SS spectra of step (f) and thereby generating the high-resolution spectrum.
Dependencies are inferred from the claim text.