CN110823829A - Spectral data compensation method based on SG calibration sheet - Google Patents
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- 230000003595 spectral effect Effects 0.000 title claims abstract description 122
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- 238000005096 rolling process Methods 0.000 claims abstract description 4
- 241000208125 Nicotiana Species 0.000 claims description 11
- 235000002637 Nicotiana tabacum Nutrition 0.000 claims description 11
- 238000002310 reflectometry Methods 0.000 claims description 11
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- 238000004458 analytical method Methods 0.000 abstract description 6
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- 238000004497 NIR spectroscopy Methods 0.000 description 3
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- G—PHYSICS
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- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
- G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
- G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
- G01N21/31—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
- G01N21/35—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light
- G01N21/3563—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light for analysing solids; Preparation of samples therefor
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
- G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
- G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
- G01N21/31—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
- G01N21/35—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light
- G01N21/359—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infrared light using near infrared light
Abstract
The invention discloses a spectral data compensation method based on an SG calibration sheet, which comprises the following steps: A. collecting spectral data of a black/white/gray three-color SG calibration sheet by using a near-infrared spectrometer, and defining the collection as primary collection of the calibration sheet; B. collecting the spectral data of the test sample by using the same near-infrared spectrometer, and defining the collection as the primary collection of the test sample; C. respectively carrying out data re-acquisition on the black/white/gray three-color SG calibration sheet and the test sample at fixed time intervals; D. rolling back the spectral data acquired by the SG calibration sheet, contrasting the data acquired by the calibration sheet for the first time, and making a fixed time period difference table and an SG calibration sheet total difference table; E. and compensating the spectral data of the test sample by contrasting the primary acquisition data of the test sample and the SG calibration sheet total difference table. The spectrum data compensation method can effectively correct and compensate the spectrum data acquired by the near-infrared spectrometer, and improves the accuracy of the analysis result.
Description
Technical Field
The invention relates to the technical field of spectral data compensation, in particular to a spectral data compensation method based on an SG calibration sheet.
Background
Near infrared spectroscopy (NIRS) is a wave of electromagnetic radiation between the visible (Vis) and mid-infrared (MIR) regions of the near infrared spectrum, defined by the American Society for Testing and Materials (ASTM), as the 780-2526nm region, is the first non-visible region of light one finds in the absorption spectrum. The near infrared spectrum region is consistent with the frequency combination of the vibration of the hydrogen-containing group (O-H, N-H, C-H) in the organic molecule and the absorption region of each level of frequency multiplication, the characteristic information of the hydrogen-containing group in the organic molecule in the sample can be obtained by scanning the near infrared spectrum of the sample, and the analysis of the sample by using the near infrared spectrum technology has the advantages of convenience, rapidness, high efficiency, accuracy, lower cost, no damage to the sample, no consumption of chemical reagents, no environmental pollution and the like, so the technology is favored by more and more people.
Along with the development of near infrared spectroscopy technology, the mainstream large near infrared spectrometer equipment in the market develops towards miniaturization with small volume and low price. However, the miniaturized near infrared spectrometer is affected by a light source, a detector, a using method, environmental conditions and the like, the aging speed of the device is high, and in order to ensure the accuracy of an analysis result, the spectral data acquired by the near infrared spectrometer device needs to be periodically corrected and compensated.
Disclosure of Invention
The invention aims to overcome the defects in the background art, and provides a spectral data compensation method based on an SG calibration sheet, which can effectively correct and compensate spectral data acquired by a near-infrared spectrometer and improve the accuracy of an analysis result.
In order to achieve the technical effects, the invention adopts the following technical scheme:
an SG calibration sheet-based spectral data compensation method comprises the following steps:
A. collecting spectral data of a black/white/gray three-color SG calibration sheet by using a near-infrared spectrometer, and defining the collection as primary collection of the calibration sheet;
B. collecting the spectral data of the test sample by using the same near-infrared spectrometer, and defining the collection as the primary collection of the test sample;
C. respectively carrying out data re-acquisition on the black/white/gray three-color SG calibration sheet and the test sample at fixed time intervals;
D. rolling back the spectral data acquired by the SG calibration sheet, contrasting the data acquired by the calibration sheet for the first time, and making a fixed time period difference table and an SG calibration sheet total difference table;
E. and compensating the spectral data of the test sample by contrasting the primary acquisition data of the test sample and the SG calibration sheet total difference table.
Furthermore, in the step A, the reflectivity of the black calibration sheet is 2.5%, the reflectivity of the white calibration sheet is 99%, the reflectivity of the gray calibration sheet is 50%, and the SG calibration sheet is an internationally certified calibration sheet, is little influenced by the environment, has strong oil stain resistance, is uniformly distributed on the test surface, and is extremely stable in the near infrared spectrum wavelength range; the accuracy and the stability of promotion data that application SG calibration piece can be very big degree as the comparison thing, and the black/white/grey tristimulus SG calibration piece of chooseing for use in this scheme has almost covered whole reflectivity scope, in the calculation of follow-up difference table, carries out the difference calculation respectively to tristimulus SG calibration piece, carries out the average value calculation to the difference again, takes its average value as final difference data at last, can effectively reduce the measured data error.
Furthermore, the test sample adopted in the step B is tobacco powder, and compared with other samples, the tobacco powder sample has the advantages of simple preparation, convenient test and extremely small sample error.
Further, the mesh number of the tobacco powder is not less than 40 meshes.
Further, the step C specifically includes setting 100 hours as the total test duration, selecting 2 hours at fixed intervals, and repeatedly acquiring spectral data of the SG calibration sheet for 50 times and spectral data of the test sample for 50 times in total, because the miniaturized near-infrared spectrometer adopted in the present solution is continuously operated for 100 hours, the device itself may have an obvious aging phenomenon, and the test result may have an obvious deviation, and the cavity data must be re-checked, the present solution sets 100 hours as the total test duration, selects 2 hours at fixed intervals, repeatedly acquires spectral data of the SG calibration sheet for 50 times and spectral data of the test sample for 50 times in total, and may also set a specific interval scheme in practice according to the specifically selected near-infrared spectrometer.
Further, in the step D, the spectral data acquired by the SG calibration sheet for the first time is used as an initial value, difference operation is performed on the subsequent repeatedly acquired spectral data and the initial spectral data respectively to obtain a difference table, the difference table is corresponding to specific interval time points to obtain a fixed time period difference table, and finally the total time point and the fixed time period difference table are integrated into a SG calibration sheet total difference table, so that the subsequent compensation algorithm can be conveniently called.
Further, the step D includes:
D1. the spectral data acquired by the SG calibration sheet for the first time is defined as spectral data A0, the spectral data acquired after the initial acquisition time point is taken as a starting point and a hour is separated is defined as spectral data A1;
D2. spectral data collected a x 2 hours apart was defined as spectral data a 2;
D3. by analogy, collecting after a x n hours is defined as spectral data An;
D4. comparing the spectral data a0 with the spectral data a1 to obtain a spectral data difference table B1-a 0-a1 at an interval of a hours, and comparing the spectral data a0 with the spectral data a2 to obtain a spectral data difference table B2-a 0-a2 at an interval of a-2 hours;
D5. by analogy, a spectrum data difference table Bn of a × n hours interval can be obtained by comparing the spectrum data a0 with the spectrum data An, and the spectrum data difference tables B1, B2 … … and Bn are integrated into An SG calibration sheet total difference table.
Further, the specific step of compensating the test sample spectral data in step E includes:
E1. starting from the initial collection time of the test sample, the collection after a hours is defined as spectral data C1, and the collection after a x 2 hours is defined as spectral data C2;
E2. by analogy, the collection after a x n hours apart is defined as spectral data Cn;
E3. correspondingly calling spectral difference data in an SG calibration sheet total difference table according to specific time intervals, wherein the spectral difference data of the test sample compensated at intervals of a hours are B1+ C1, and the spectral difference data of the test sample compensated at intervals of a x 2 hours are B2+ C2;
E4. by analogy, the collection after a x n hours apart is defined as spectral data Bn + Cn.
Compared with the prior art, the invention has the following beneficial effects:
the spectral data compensation method based on the SG calibration sheet can effectively correct and compensate spectral data acquired by a near-infrared spectrometer, and improves the accuracy of an analysis result.
Drawings
Fig. 1 is a schematic flowchart of the SG calibration sheet-based spectral data compensation method of the present invention.
Detailed Description
The invention will be further elucidated and described with reference to the embodiments of the invention described hereinafter.
Example (b):
the first embodiment is as follows:
as shown in fig. 1, a method for compensating spectral data based on an SG calibration sheet specifically includes the following steps:
and 101, collecting the spectral data of the SG calibration sheet with black/white/gray three colors by using a near infrared spectrometer, and defining the collection as the primary collection of the calibration sheet.
Specifically, in this embodiment, the reflectivity of the black calibration sheet is 2.5%, the reflectivity of the white calibration sheet is 99%, and the reflectivity of the gray calibration sheet is 50%, and the three-color calibration sheet almost covers the whole reflectivity range, and in the subsequent difference table calculation, the difference calculation is performed on the three-color SG calibration sheet, the average value calculation is performed on the difference values, and finally the average value is taken as the final difference value data, so that the error of the measurement data can be effectively reduced.
And 102, acquiring the spectral data of the test sample by using the same near infrared spectrometer, and defining the acquisition as the initial acquisition of the test sample.
Specifically, in this embodiment, the selected test sample is a tobacco powder sample with a mesh size of 40 meshes, and the specific implementation method thereof is as follows: firstly, the tobacco leaves are crushed to 40 meshes, then about 200 g of samples are placed into a tool vessel special for tobacco testing, and finally, the tobacco powder samples are compacted downwards to enable the surfaces of the tobacco powder samples to be flat and have certain thickness, so that light rays emitted by a near-infrared spectrometer can form a good diffuse reflection effect through the tobacco powder samples, and the surfaces of the samples are flat and have certain thickness, so that errors brought to test data by the environment or the samples can be effectively reduced.
And 103, respectively carrying out data re-acquisition on the black/white/gray three-color SG calibration sheet and the test sample at fixed time intervals.
Specifically, in this embodiment, after the adopted miniaturized near-infrared spectrometer continuously works for 100 hours, the device itself may have an obvious aging phenomenon, the test result may have an obvious deviation, and the cavity data must be re-checked, so in this embodiment, specifically, 100 hours is set as the total test duration, 2 hours is selected as the fixed interval time, and the spectral data of the SG calibration sheet and the spectral data of the test sample are repeatedly collected for 50 times in total.
Specifically, in this embodiment, the SG calibration sheet is collected by using a miniaturized near-infrared spectrometer at regular time intervals of 2 hours, the initial collection is defined as spectral data a0, the collection after 2 hours from the initial collection time point is defined as spectral data a1, the collection after 4 hours from the initial collection time point is defined as spectral data a2, and so on, the collection after 100 hours from the initial collection time point is defined as spectral data a50, a spectral data difference table B1 at 2 hours from the comparison of spectral data a0 with spectral data a1 is a0-a1, a spectral data difference table B2 at 4 hours from the comparison of spectral data a0 with spectral data a2 is a0-a2, and so on, a spectral data a0 with spectral data a50 is a spectral data difference table B50 at 100 hours from the comparison of spectral data a0-a50, and so on, the spectral data difference table B1, b2 … … and B50 are integrated into a total difference table.
And 105, compensating the spectral data of the test sample by contrasting the primary acquisition data of the test sample and the SG calibration sheet total difference table. The spectral data of the test sample to be collected sequentially corresponds to the total difference table according to specific collection interval time, compensation operation is conducted on the test sample data and the corresponding difference table, modeling comparison is conducted on the spectral data before compensation and the spectral data after compensation respectively, the effect of a spectral data model after compensation can be obviously compared to be better, and the accuracy of an analysis result is further improved.
Specifically, in this embodiment, the specific procedure for compensating the spectrum data of the test sample is as follows: the initial acquisition time of the test sample is taken as a starting point, the acquisition after 2 hours is defined as spectral data C1, the acquisition after 4 hours is defined as spectral data C2, and the like, the acquisition after 100 hours is defined as spectral data C50, the spectral difference data in the total difference table are called correspondingly according to specific time intervals, the spectral data of the test sample after 2 hours compensation is B1+ C1, the spectral data of the test sample after 4 hours compensation is B2+ C2, and the like, and the spectral data of the test sample after 100 hours compensation is B50+ C50.
It will be understood that the above embodiments are merely exemplary embodiments taken to illustrate the principles of the present invention, which is not limited thereto. It will be apparent to those skilled in the art that various modifications and improvements can be made without departing from the spirit and substance of the invention, and these modifications and improvements are also considered to be within the scope of the invention.
Claims (8)
1. The spectral data compensation method based on the SG calibration sheet is characterized by comprising the following steps of:
A. collecting spectral data of a black/white/gray three-color SG calibration sheet by using a near-infrared spectrometer, and defining the collection as primary collection of the calibration sheet;
B. collecting the spectral data of the test sample by using the same near-infrared spectrometer, and defining the collection as the primary collection of the test sample;
C. respectively carrying out data re-acquisition on the black/white/gray three-color SG calibration sheet and the test sample at fixed time intervals;
D. rolling back the spectral data acquired by the SG calibration sheet, contrasting the data acquired by the calibration sheet for the first time, and making a fixed time period difference table and an SG calibration sheet total difference table;
E. and compensating the spectral data of the test sample by contrasting the primary acquisition data of the test sample and the SG calibration sheet total difference table.
2. An SG calibration sheet-based spectral data compensation method according to claim 1, wherein in said step a, black calibration sheet reflectivity is 2.5%, white calibration sheet reflectivity is 99%, and gray calibration sheet reflectivity is 50%.
3. The SG calibration sheet-based spectral data compensation method of claim 1, wherein the test sample used in step B is tobacco powder.
4. An SG calibration sheet-based spectral data compensation method according to claim 3, wherein said tobacco powder has a mesh size not less than 40 mesh.
5. The SG calibration sheet-based spectral data compensation method of claim 1, wherein in the step C, 100 hours is set as the total test duration, 2 hours are selected at regular intervals, and the acquisition of the spectral data of the SG calibration sheet and the acquisition of the spectral data of the test samples are repeated 50 times in total.
6. The SG calibration sheet-based spectral data compensation method of claim 1, wherein in the step D, the spectral data initially acquired by the SG calibration sheet is used as an initial value, the spectral data repeatedly acquired subsequently is subjected to difference operation with the initial spectral data to obtain a difference table, the difference table is corresponding to specific interval time points to obtain a fixed time period difference table, and finally the total time point and the fixed time period difference table are integrated into an SG calibration sheet total difference table.
7. The SG calibration sheet-based spectral data compensation method of claim 6, wherein the step D comprises:
D1. the spectral data acquired by the SG calibration sheet for the first time is defined as spectral data A0, the spectral data acquired after the initial acquisition time point is taken as a starting point and a hour is separated is defined as spectral data A1;
D2. spectral data collected a x 2 hours apart was defined as spectral data a 2;
D3. by analogy, collecting after a x n hours is defined as spectral data An;
D4. comparing the spectral data a0 with the spectral data a1 to obtain a spectral data difference table B1-a 0-a1 at an interval of a hours, and comparing the spectral data a0 with the spectral data a2 to obtain a spectral data difference table B2-a 0-a2 at an interval of a-2 hours;
D5. by analogy, a spectrum data difference table Bn of a × n hours interval can be obtained by comparing the spectrum data a0 with the spectrum data An, and the spectrum data difference tables B1, B2 … … and Bn are integrated into An SG calibration sheet total difference table.
8. The SG calibration sheet-based spectral data compensation method of claim 7, wherein the step E of compensating the test sample spectral data comprises:
E1. starting from the initial collection time of the test sample, the collection after a hours is defined as spectral data C1, and the collection after a x 2 hours is defined as spectral data C2;
E2. by analogy, the collection after a x n hours apart is defined as spectral data Cn;
E3. correspondingly calling spectral difference data in an SG calibration sheet total difference table according to specific time intervals, wherein the spectral difference data of the test sample compensated at intervals of a hours are B1+ C1, and the spectral difference data of the test sample compensated at intervals of a x 2 hours are B2+ C2;
E4. by analogy, the collection after a x n hours apart is defined as spectral data Bn + Cn.
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| CN111579528A (en) * | 2020-06-30 | 2020-08-25 | 四川长虹电器股份有限公司 | Calibration method of micro near-infrared spectrometer |
| CN111855595A (en) * | 2020-08-24 | 2020-10-30 | 四川长虹电器股份有限公司 | Spectral data calibration method based on black and white calibration plate |
| CN111879725A (en) * | 2020-08-24 | 2020-11-03 | 四川长虹电器股份有限公司 | Spectral data correction method based on weight coefficient |
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