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A method to eliminate the difference between Raman spectrometers

A technology of Raman spectrometer and inter-stage difference, which is applied in the field of chemical spectrum analysis and testing, and can solve problems such as unrelated instrument inter-stage difference, single instrument calibration, etc.

Active Publication Date: 2015-08-05
NAT INST FOR FOOD & DRUG CONTROL
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

The disclosed technology only proposes the calibration of a single instrument itself, which can ensure the stability and reproducibility of a single instrument, but does not involve the problem of inter-instrument differences between instruments

Method used

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  • A method to eliminate the difference between Raman spectrometers
  • A method to eliminate the difference between Raman spectrometers
  • A method to eliminate the difference between Raman spectrometers

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0053] Taking cyclohexane as a sample, the steps to eliminate the inter-stage difference are as follows:

[0054] (1) Self-inspection of Raman spectrometer and acquisition of various performance indicators

[0055] Detect sample cyclohexane with a Raman spectrometer to obtain Raman spectra, obtain and determine the following four indicators from these spectra:

[0056] ①Wave number accuracy: compare the deviation between the measured value and the standard value of 11 standard peak positions of cyclohexane (that is, the absolute error), and test 5 times in a row. The maximum value of all peak position deviations does not exceed the specified value (1cm -1 );

[0057] The 11 standard peak positions and standard values ​​of cyclohexane are obtained by using the assigned Raman peak positions of standard reference materials in ASTM.

[0058] ②Wave number accuracy: The sample cyclohexane is measured for 5 consecutive times, and the measured values ​​of 11 standard peak positions ...

Embodiment 2

[0084] (1) Self-inspection of Raman spectrometer and acquisition of various performance indicators

[0085] Detect sample toluene-acetonitrile with Raman spectrometer, obtain Raman spectra, from these spectra

[0086] The following four indicators were obtained and determined:

[0087] ①Wave number accuracy: compare the measured value and standard value of 11 standard peak positions of toluene-acetonitrile

[0088] Deviation (that is, absolute error), 5 consecutive tests, the maximum value of all peak position deviations does not exceed

[0089] Specified value (2cm-1);

[0090] The 11 standard peak positions and standard values ​​of toluene-acetonitrile are obtained by using the standard in ASTM

[0091] The assigned Raman peak positions of the reference material were obtained.

[0092] ②Wave number accuracy: Measure the sample toluene-acetonitrile for 5 consecutive times to obtain 11 standard peak positions

[0093] The measured values, the maximum variation range of th...

experiment example 1

[0108] According to the method of Example 1, the inter-stage difference was eliminated for two 785nm grating-type Raman spectrometers.

[0109] figure 1 For the Raman spectrograms of the doxofylline aqueous solution measured on the two instruments without eliminating the difference between the platforms, the correlation coefficient of the two spectra was calculated to be 0.7227.

[0110] figure 2In order to eliminate the Raman spectrograms of the doxofylline aqueous solution measured on the two instruments of the difference between the platforms, the correlation coefficient of the two spectra was calculated to be 0.9808.

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Abstract

The invention relates to a method for eliminating table difference of a Raman spectrometer. The method comprises the following steps: 1) performing quantitative characterization on the table difference of the Raman spectrometer by employing four quantitative indexes including wavelength accuracy, wave number precision, signal to noise ratio and relative peak intensity; and 2) controlling the table difference of the Raman spectrometer by employing the X-axis correction, base line offset correction and relative intensity correction. The method mainly shows how to perform quantitative characterization and control on the table difference of the Raman spectrometer, so that the aim of eliminating the table difference of the Raman spectrometer is fulfilled, and the function of controlling the performance and stability between instruments is realized; and therefore, a stable mathematical model is established according to the needs by using the Raman spectrum, the model transfer is realized, and the method has wide application prospect.

Description

technical field [0001] The invention relates to the field of chemical spectrum analysis and testing, in particular to a method for eliminating differences between Raman spectrometers. Background technique [0002] In the application and development of spectroscopy, the application of chemometrics is an important development direction. At present, various modeling methods are widely used in the application of infrared spectroscopy and near-infrared spectroscopy, but the application of Raman spectroscopy is still blank in this respect. This is because, unlike absorption spectra such as infrared spectroscopy and near-infrared spectroscopy, Raman spectroscopy is an emission spectrum without background subtraction, coupled with issues such as the stability of the laser, the spectra measured by different Raman spectrometers will be different, and cannot Establish a stable mathematical model and realize the model transfer, that is, there is a difference between the Raman spectrome...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01N21/65G01J3/44
Inventor 赵瑜尹利辉纪南高延甲王军张学博朱俐
Owner NAT INST FOR FOOD & DRUG CONTROL