Abstract: Methods and apparatus for LC/IMS/MS analysis involve obtaining noisy raw data from a sample, convolving the data with an artifact-reducing filter, and locating, in retention-time, ion mobility, and mass-to-charge-ratio dimensions, one or more ion peaks of the convolved data.

Abstract: Embodiments of the present invention are directed to apparatus and methods for performing mass spectrometry. Data pair information is subjected to an ion audit process in which data pair information that relates to scored compounds is subtracted from the data pair information. The depleted information more readily reveals data pair information for compounds present with smaller signals.

Abstract: A method (100) for performing chemical analyses includes digesting a reference sample to obtain precursors associated with a peptide in the sample (110), separating the precursors to determine values associated with retention times of the separated precursors (120), ionizing the separated precursors to form precursor ions (130), mass analyzing the precursor ions to determine values associated with mass and with ion intensity (140), and storing a <?fcfile of the polypeptide defined by the determined values (150). A subject sample is analyzed (160), and the polypeptide is detected in the subject sample in response to a match between subject-sample and profile values. An apparatus (900) for performing chemical analyses includes a chromatography module (904), a mass-spectrometry module (912), and a computer module (926).

Abstract: A method of mass spectrometry is disclosed wherein distortions in a mass spectrum are corrected for by determining or estimating the number of ions Qi which arrived in an ith time bin, wherein: Formula (I) and wherein qi is the actual total number of ion arrival events recorded in the ith time bin and x is an integer corresponding to the number of time bins which correspond with an estimated deadtime period.

Abstract: In complex separations, more than one entity may have the same molecular weight, to within the ability of an instrument to distinguish. Accurate mass measurements are used in light of the previously unknown regularities in retention time to determine a retention time (N pairs of values (tiB, tiBref)) (506). The retention time map allows a reference retention time to be assigned to each entity in a separation. The reference retention times, together with accurate mass measurements, can then be used to track and to compare entities (704,708) between separations.

Abstract: Disclosed herein is a method of analyzing three-dimensional data obtained from a chromatography/spectrometry process, in particular an LC/MS process using a two-dimensional multi-variant statistical analysis. The LC portion permits separation of analytes within a sample. The information obtained from such a procedure typically depends on retention time (Rt). As the analytes progress through the system, they enter the MS region of the LC/MS system. There they are ionized and a mass detector then detects these ionized species. The information procured from this procedure is generally reported as intensity for a corresponding m/z value. Therefore, an LC/MS system provides at least three pieces of information. Principle component analysis (PCA) is a robust method of multi-variant analysis of this type of data between different samples. However, typically, PCA analysis is performed using only two-dimensional data.

Abstract: Disclosed herein is a method of analyzing three-dimensional data obtained from a chromatography/spectrometry process, in particular an LC/MS process using a two-dimensional multi-variant statistical analysis. The LC portion permits separation of analytes within a sample. The information obtained from such a procedure typically depends on retention time (Rt). As the analytes progress through the system, they enter the MS region of the LC/MS system. There they are ionized and a mass detector then detects these ionized species. The information procured from this procedure is generally reported as intensity for a corresponding m/z value. Therefore, an LC/MS system provides at least three pieces of information. Principle component analysis (PCA) is a robust method of multi-variant analysis of this type of data between different samples. However, typically, PCA analysis is performed using only two-dimensional data.

Abstract: An improved method and apparatus for identifying peaks and for determining the boundaries of those peaks, and boundaries of multiple peaks and shoulders within chromatograms. The method and apparatus effects real time identification and determination of the boundaries of these peaks for the purpose of fraction collection. The method and apparatus determines the boundary of a peak within a detector response profile that comprises data points plotted graphically on an X and Y-axis wherein the X-axis represents a first variable and the Y-axis represents a second variable, each variable having a value. The plot at each of the data points has a slope. Data points having a slope which deviates from a consistent value define a peak, and data points having a slope with a consistent value define a baseline.

Abstract: An improved method and apparatus for identifying peaks and for determining the boundaries of those peaks, and boundaries of multiple peaks and shoulders within chromatograms. The method and apparatus effects real time identification and determination of the boundaries of these peaks for the purpose of fraction collection. The method and apparatus determines the boundary of a peak within a detector response profile that comprises data points plotted graphically on an X and Y-axis wherein the X-axis represents a first variable and the Y-axis represents a second variable, each variable having a value. The plot at each of the data points has a slope. Data points having a slope which deviates from a consistent value define a peak, and data points having a slope with a consistent value define a baseline.

Abstract: Method and devices for performing chromatographic pattern analysis determine chromatographic variability due to a plurality of sources without requiring identification or characterization of peaks or other chromatographic features, receives data indicative of a standard chromatogram and a first sample chromatogram generated from a first mixture by a High Pressure Liquid Chromatography (HPLC) device and data indicative of a plurality of additional sample chromatograms generated by the HPLC device from a plurality of different mixtures. The method and devices generate from the standard chromatogram, a plurality of sets of chromatographic variability data, each set being indicative of a different effect of the chromatographic variability of the HPLC. The standard chromatogram is modified as a function of the variability data, and a residual value, indicative of a difference between the modified standard chromatograms and the first sample chromatogram is generated.

Abstract: A system and method for analyzing data from a gel permeation chromatography (GPC) or size exclusion chromatography (SEC) system for determining a polymeric sample's molecular weight distribution (MWD) and intrinsic viscosity law (IVL). Data from two or more detectors is used with a least-squares minimization fit. A novel method includes the simultaneous determination of a sample's MWD and IVL using data from two or more detectors. Detectors include a Light Scattering (LS) detector, viscometer (V) and a refractive index (RI) detector. The present invention is insensitive to detector noise in the baseline regions of the peak curve.

Abstract: Method and devices for performing chromatographic pattern analysis determine chromatographic variability due to a plurality of sources without requiring identification or characterization of peaks or other chromatographic features, receives data indicative of a standard chromatogram and a first sample chromatogram generated from a first mixture by a High Pressure Liquid Chromatography (HPLC) device and data indicative of a plurality of additional sample chromatograms generated by the HPLC device from a plurality of different mixtures. The method and devices generate from the standard chromatogram, a plurality of sets of chromatographic variability data, each set being indicative of a different effect of the chromatographic variability of the HPLC. The standard chromatogram is modified as a function of the variability data, and a residual value, indicative of a difference between the modified standard chromatograms and the first sample chromatogram is generated.

Abstract: A lens for simulating the effect of gravity from a galaxy on light from a source effectively positioned at infinity with the light passing through the galaxy, the optical properties of the lens being equivalent to that of a lens having a flat plane surface on one side and a compound curved surface on the other side. The lens is rotationally symmetric about a central axis. The compound curve surface includes a convex region in the center thereof and a cusp shaped region in the outer edges thereof, said cusp shaped region being shaped nearly flat and parallel to the flat plane surface on the other side of the lens at the outer edge thereof. The convex region merges into the cusp shaped region through a flat plane prismatic region. The focal length of the convex region is less than the distance between the lens and the observer ensuring that the observer holding the lens (approximately at arm's length) on viewing an object through said lens will see multiple images of said object.