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US 2012/0259557 A1Published application
Ion detection and parameter estimation for n-dimensional data
AssigneeWaters Technologies Corporation
InventorsMarc V. Gorenstein, Guo-Zhong Li
Life of this patent
Estimating the term…
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.
Claims21
1-24. (canceled)
An apparatus comprising:
- a chromatography module;
- an ion-mobility module;
- a mass-spectrometry module;
- and
- a control unit in communication with the modules, the control unit comprising a processor and a memory for storing a plurality of instructions which, when executed by the processor, causes execution of a method comprising:
- obtaining noisy raw data from a sample, the data comprising a set of three-dimensional data elements each associating an ion-count intensity with a retention-time dimension, an ion-mobility dimension, and a mass-to-charge-ratio dimension, wherein the noise is associated with ion-peak artifacts;
- convolving the three-dimensional data elements with an artifact-reducing filter, the filter associated with a three-dimensional matrix, thereby obtaining a convolved set of data elements having reduced ion-peak artifacts;
- and
- locating, in the retention-time, ion mobility, and mass-to-charge-ratio dimensions, one or more ion peaks of the convolved three-dimensional data elements.
6 more elements
A method for analyzing a sample, comprising:
- obtaining noisy raw data from the sample, the data comprising a set of data elements each associating an ion-count intensity with at least three dimensions, wherein the noise is associated with ion-peak artifacts, wherein the at least three dimensions include a retention time dimension, an ion-mobility dimension, and a mass-to-charge ratio dimension;
- obtaining, using the set of data elements, a convolved set of collapsed data elements having reduced peak artifacts;
- determining one or more ion peaks of the convolved set of collapsed data elements;
- selecting one or more portions of the noisy raw data, the one or more portions being associated with locations of the ion peaks of the convolved set of collapsed data elements;
- convolving the selected one or more portions of the noisy raw data with an artifact-reducing filter associated with a matrix having the same number of dimensions as the noisy raw data;
- and
- locating, in one of the dimensions having the lowest resolution, one or more ion peaks for each of the convolved selected one or more portions of the noisy raw data.
4 more elements
An apparatus comprising:
- a plurality of analytical modules;
- a control unit in communication with the plurality of modules, the control unit comprising a processor and a memory for storing a plurality of instructions which, when executed by the processor, causes execution of a method comprising:
- obtaining noisy raw data from the sample, the data comprising a set of data elements each associating an ion-count intensity with at least three dimensions, wherein the noise is associated with ion-peak artifacts, wherein the at least three dimensions include a retention time dimension, an ion-mobility dimension, and a mass-to-charge ratio dimension;
- obtaining, using the set of data elements, a convolved set of collapsed data elements having reduced peak artifacts;
- determining one or more ion peaks of the convolved set of collapsed data elements;
- selecting one or more portions of the noisy raw data, the one or more portions being associated with locations of the ion peaks of the convolved set of collapsed data elements;
- convolving the selected one or more portions of the noisy raw data with an artifact-reducing filter associated with a matrix having the same number of dimensions as the noisy raw data;
- and
- locating, in the lowest resolution dimension, one or more ion peaks for each of the convolved selected one or more portions of the noisy raw data.
6 more elements
A non-transitory computer readable medium comprising code stored thereon for analyzing a sample, the non-transitory computer readable medium comprising code for:
- obtaining noisy raw data from the sample, the data comprising a set of data elements each associating an ion-count intensity with at least three dimensions, wherein the noise is associated with ion-peak artifacts, wherein the at least three dimensions include a retention time dimension, an ion-mobility dimension, and a mass-to-charge ratio dimension;
- obtaining, using the set of data elements, a convolved set of collapsed data elements having reduced peak artifacts;
- determining one or more ion peaks of the convolved set of collapsed data elements;
- selecting one or more portions of the noisy raw data, the one or more portions being associated with locations of the ion peaks of the convolved set of collapsed data elements;
- convolving the selected one or more portions of the noisy raw data with an artifact-reducing filter associated with a matrix having the same number of dimensions as the noisy raw data;
- and
- locating, in the lowest resolution dimension, one or more ion peaks for each of the convolved selected one or more portions of the noisy raw data.
4 more elements
Dependencies are inferred from the claim text.