Wavelength spectrums of peaks detected on a chromatogram based on observation data to be processed are extracted to create a spectrum set {S.sub.n} in which the intensity values of the spectrums are normalized (S10, S11). One wavelength spectrum is selected from the set, and a vector of the wavelength spectrum at each point in time of measurement based on the observation data is projected so as to be perpendicular to the vector of the selected spectrum (S12 to S14). The vectors of the wavelength spectrums in the set {S.sub.n } are also similarly projected (S15). Consequently, the selected spectrum is erased from the set {S.sub.n}. The processes from S12 to S16 are repeated until the set {S.sub.n } does not include a spectrum, and the obtained signals are added (S17). The signal resulting from the addition is a signal indicating the waveform shape of an unknown baseline. A baseline spectrum is obtained by fitting the signal to a chromatogram at each wavelength obtained from the observation data, and a baseline signal at each wavelength is calculated from the baseline spectrum and the baseline chromatogram. As a result, a baseline can be automatically estimated without setting of a parameter and the like by a user.

A gas-phase chemical analyzer has at least one gas chromatography column in gas-flow communication with at least one gas carrying tube of an optical absorption cell, a laser for illuminating molecules in a gas mixture flowing though the at least one gas carrying tube of the optical absorption cell, and a photodetector or photodetecting apparatus for measuring absorption spectra of the gas mixture illuminated by the laser. A first module is provided for statically identifying particular molecules in the gas mixture from other molecules in said gas mixture and a second module is provided for comparing at least selected ones of the particular molecules in the gas mixture with a reference library of absorption spectra of previously identified molecules and for determining the likelihood of a correct identification of the particular molecules in the gas mixture and the previously identified molecules in the reference library.

A method for processing chromatographic peaks in chromatographic systems comprising comparing a first peak with a second peak; and determining whether the first peak and second peak should be grouped together.

The invention generally provides methods for improving the dynamic range of an absorbance detector and absorbance detectors having improved dynamic range. In an exemplary embodiment, the method includes receiving calibration data for a plurality of samples, the calibration data comprising an absorbance for a concentration of each of the samples, calculating a contribution of stray light to the calibration data, and correcting subsequent data by removing the contribution of stray light.

The present disclosure provides a method of analyzing the structure of a glycan sample, the method including: receiving data indicative of one or more spectra of mass-to-charge ratio (m/z) versus relative abundance of the glycan sample from a mass spectrometer (MS) instrument; generating a ratio according to the following Equation:

[00001]$\frac{a}{a+b}$

wherein a is a magnitude of one or more first peaks in the one or more spectra and b is the magnitude of one or more second peaks in the one or more spectra; determining that the ratio is within a range of a predetermined ratio; based on determining that the ratio is within the range of the predetermined ratio, determining that a predetermined structural characteristic is present in the glycan sample; and outputting an indication of the predetermined structural characteristic in the glycan sample.

A system and method for processing data in chromatographic systems is described. In an implementation, the system and method includes processing data generated by a chromatographic system to generate processed data, analyzing the processed data, and preparing and providing results based on the processed data.

A system and method for processing data in chromatographic systems is described. In an implementation, the system and method includes processing data generated by a chromatographic system to generate processed data, analyzing the processed data, and preparing and providing results based on the processed data.

Methods are described for the automatic determination and correction of retention time shift of a MS data set relative to a control data set, to correct for retention time drifts endemic to targeted LCMS analyses. In an embodiment, a 2D grid of periodic MS spectra versus time is collected for a control experiment, and RT windows are determined with an additional set of unscheduled mass spectral analyses. During successive experiments, spectra from periodic MS scans are used to determine the correspondence between the current time and the time in the control experiment. The active set of MSn scans to be acquired by the instrument is then determined as the scans with adjusted retention time windows that bracket the corrected retention time.

An embodiment of a method for real time material identification is described that comprises determining an approximate mass value for an unknown material from spectral information derived from mass spectral analysis of the unknown material; retrieving profile models that correspond to a known material from a data structure using the approximate mass value; fitting a sample profile for the unknown material from the spectral information to the profile models to generate a fit score for each fit, wherein the lowest fit score corresponds to the best fit; calculating a mass value from the best fitting profile model and the sample profile.

The present invention relates to a method for determining the logarithmic reduction value LRV of a size-exclusion filter for a particle of a process solution, which particle is to be clarified, the size-exclusion filter being protected from a blocking adsorbing species present in the process solution by a process adsorber which is connected upstream in series.