Spectral axis transform

The invention relates to reference libraries of composite spectra that consolidate, into a single searchable data set, multiple independent spectra taken of a chemical compound under multiple conditions, generally on a single instrument. The reference libraries may be used, for example, to increase...

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Hauptverfasser: ZAVITSANOS A. PAUL, MENG CHIN-KAI, WYLIE PHILIP LEIGH
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creator ZAVITSANOS A. PAUL
MENG CHIN-KAI
WYLIE PHILIP LEIGH
description The invention relates to reference libraries of composite spectra that consolidate, into a single searchable data set, multiple independent spectra taken of a chemical compound under multiple conditions, generally on a single instrument. The reference libraries may be used, for example, to increase the analytical power of mass spectrometers such as API-CID mass spectrometers. The multiple independent spectra are converted into a composite spectrum by performing a number of steps. First, units on the x-axis of at least one, and generally all but one, of the independent spectra are renumbered so that the numerical range of the x-axes of the spectra do not perfectly overlap. Second, the x-axes of the independent spectra are aligned on a composite x-axis. Methods and programs for making and using the reference libraries and devices containing the reference libraries are also disclosed.
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subjects BASIC ELECTRIC ELEMENTS
CALCULATING
COMPUTING
COUNTING
ELECTRIC DIGITAL DATA PROCESSING
ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
ELECTRICITY
INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES
MEASURING
PERFORMING OPERATIONS
PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
PHYSICS
SEPARATION
TESTING
TRANSPORTING
title Spectral axis transform
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