Method for Calibrating an Analytical Instrument
First Claim
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1. A method, comprisingproviding a location in n-dimensional space of a reference centroid derived from a quantity of one or more compounds in a reference sample;
- providing a location in n-dimensional space of a test centroid derived from a quantity of one or more compounds in a test sample processed by the instrument;
computing a vector associated with a distance between the reference centroid and the test centroid;
determining the extent to which an adjustment to one or more equipment settings would either decrease the distance between and/or improve the relative locations of the reference centroid and the test centroid; and
effecting an adjustment to the one or more equipment settings to calibrate the instrument.
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Abstract
Methods are provided for calibrating analytical instruments that comprise a quantitative device, such as spectrometers, particularly where a complex mixture is analyzed over a broad spectral range. Associated computer and analytical systems as well as software are also provided.
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Citations
34 Claims
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1. A method, comprising
providing a location in n-dimensional space of a reference centroid derived from a quantity of one or more compounds in a reference sample; -
providing a location in n-dimensional space of a test centroid derived from a quantity of one or more compounds in a test sample processed by the instrument; computing a vector associated with a distance between the reference centroid and the test centroid; determining the extent to which an adjustment to one or more equipment settings would either decrease the distance between and/or improve the relative locations of the reference centroid and the test centroid; and effecting an adjustment to the one or more equipment settings to calibrate the instrument. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8)
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9. A processor-readable medium, comprising program instructions configured to:
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interpret a location in n-dimensional space of a reference centroid derived from a quantity of one or more compounds in a reference sample, interpret a location in n-dimensional space of a test centroid derived from a quantity of one or more compounds in a test sample processed by an instrument, compute a vector that reflects a distance between the reference centroid and the test centroid, and output an appropriate adjustment to be effected on the instrument in order to decrease the distance between the reference centroid and the test centroid. - View Dependent Claims (10, 11)
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12. A method of tuning an analytical instrument, comprising:
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locating a reference centroid in a vector space based on the results of passing a first compound and a second compound through a first analytical instrument; locating a test centroid in the vector space based on the results of passing the first compound and the second compound through a second analytical instrument, the location of the test centroid in the vector space being a first location; and providing an output to a user identifying a parameter of the second analytical instrument to be changed to move the test centroid to a second location in the vector space, the second location being closer to the location of the reference centroid than the first location. - View Dependent Claims (13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23)
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24. A method of determining a response profile of an analytical instrument having a first variable parameter and a second variable parameter, comprising:
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passing a thermometer ion through the analytical instrument while the first variable parameter is set to a first value and the second variable parameter is set to a second value;
the analytical instrument providing a first output useable by a user;varying the first variable parameter and passing the thermometer ion through the analytical instrument;
the analytical instrument providing a second output useable by a user; andvarying the second variable parameter and passing thermometer ion through the analytical instrument, the analytical instrument providing a third output useable by a user. - View Dependent Claims (25, 26, 27)
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28. A method of selecting a reference response for an analytical instrument, comprising:
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preparing a reference profile for a selected analyte by varying one or more instrument parameter over an appropriate range of settings to define a tuning space for that instrument; and selecting a reference response that corresponds to instrument settings appropriate for the intended use of the instrument. - View Dependent Claims (29, 30)
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31. A method of tuning an instrument, comprising:
adjusting instrument parameters so that the instrument response to the selected analyte substantially matches a selected reference response. - View Dependent Claims (32, 33, 34)
Specification