CN105606548B - A kind of method of work of database and calculation server - Google Patents
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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
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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
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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
- G01N2021/3129—Determining multicomponents by multiwavelength light
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Abstract
The invention discloses the method for works of a kind of database and calculation server, the n groups spectroscopic data of object sample and the corresponding n groups chemical detection data of each object sample are formed into multiple primary databases according to the same database of kind of object typing, multigroup spectroscopic data of each object sample and multigroup chemical detection data are formed data mapping set by calculation server by object sample type, from data mapping set, choose the absorption values of 2 100 wavelength and chemical detection data carry out it is corresponding, determine that 2 100 wavelength absorbance variations have qualitative and quantitative relationship K formula with chemical detection data variation, K formula is embedded in calculation server；New spectroscopic data is inputted to calculation server, calculation server realizes the content that material composition to be detected is calculated according to new spectroscopic data according to the examined object type of input and its ingredient Auto-matching formula of required detection.The method of work is quick, error is small.
Description
Technical field
The invention belongs to substance detection fields, more particularly to the method using spectral detection chemical composition, specifically relate to
And a kind of method of work of database and calculation server.
Background technology
The control of modern near infrared spectroscopy instrument and Data Management Analysis system are the important components of instrument.Generally by
Instrument controlling adopts spectrum and spectral manipulation two software systems of analysis and corresponding hardware device composition.The former major function is control
The working condition of instrument each section processed, set spectra collection has related parameter, such as spectral measurement mode, scanning times, setting light
Scanning range of spectrum etc. sets the working condition of detector and receives the spectral signal of detector.Spectral manipulation analysis software master
The spectrum to be acquired to detector is handled, and realizes qualitative or quantitative analysis.To specific sample system, near infrared spectrum
The difference of characteristic peak is not obvious, and the processing by spectrum is needed to reduce, spectral information is done so that eliminating various aspects factor
It disturbs, then the qualitative or quantitative information of sample is extracted from the little spectral information of difference, everything will be by powerful
Spectroscopic data handles analysis software to realize.
Near-infrared spectral analysis technology analyze speed is fast, be because spectral measurement speed quickly, calculation by computer speed
The reason of spending also quickly.But the efficiency of near-infrared spectrum analysis depends on data model, quantity and the operation provisioned in instrument
Method of work between server and database, the number when accuracy of data model depends on establishing data model based on modeling
According to the size and operation rule of amount, the high-efficiency operation between calculation server and database depends on calculation server to database
Middle data transfer and operation after data store efficiency.
101556242 B of CN disclose a kind of method for discriminating microorganism by utilizing Fourier infrared spectrum, are compareed including culture
Microorganism；The infared spectrum of acquisition control microorganism；In 3000-2300cm‐1With 1300 to 700cm‐1One or more in section
A spectral coverage establishes microorganism and differentiates model；Tested microorganism is cultivated under the same conditions as above, acquires the red of tested microorganism
Infared spectrum is substituted into microorganism discriminating model the ownership for determining tested microorganism by outer collection of illustrative plates.
In current method because the foundation of model according to collection of illustrative plates pattern carry out or according to local data into
It is capable or on the basis of stoichiometry carry out match spectrum data, these methods all exist modeling after adjustment difficulty it is big,
And basic data is not complete, cause the correction of data model and the update of formula and replace difficulty it is big, while calculation server with
It is operated between database and data corruption easily occurs, and new detection data cannot update, cause testing result error big and data
The defects of model modification rate is low.
Invention content
In order to solve the above technical problems, the present invention provides the method for work of a kind of database and calculation server, the party
Method sets up operational formula using the spectrum multi-wavelength characteristic information and more material information correspondences of substance.Main process is to build
After having found spectroscopic data and chemical detection data, input database carries out spectroscopic data and chemical data by calculation server
Mapping, found according to mapping and represent the wavelength combination information of its rule, and by wavelength combination information and material composition and content
Information establishes more sets of data formula, then will cover mathematical formulae insertion calculation server more, and calculation server is close with database
Interaction carries out novel substance detection and the optimization of mathematical formulae.
Specifically, the method for work the present invention provides a kind of database and calculation server, which is characterized in that by object
The n groups spectroscopic data of sample and the corresponding n groups chemical detection data of each object sample press the same database shape of kind of object typing
Into multiple primary databases, primary database is connect with calculation server, and the data that calculation server receives primary database are pressed
Multigroup spectroscopic data of each object sample and multigroup chemical detection data are formed data mapping set by object sample type, from number
According in mapping set, the absorption values for choosing 2-100 wavelength carry out corresponding with chemical detection data, determine 2-100 wave
Long absorbance change has qualitative and quantitative relationship K formula with chemical detection data variation, and K formula is embedded in operation clothes
Business device；By new spectroscopic data input database and it is input to calculation server, calculation server is according to the examined object of input
Type and its ingredient Auto-matching formula of required detection, realize and calculate containing for material composition to be detected according to new spectroscopic data
Amount, wavelength value or wave-length coverage of the 2-100 wavelength in 700-2500nm, wherein, chemical detection data include T kinds
Ingredient and its content detection, T >=1, K >=T, n >=50；The object sample for food, soil class it is one or more.
Specifically, the present invention provides the method for work of a kind of database and calculation server, this method comprises the following steps：
Step I：Object sample A to be detected is irradiated with light source1, then collect object sample A1Reflected spectrum, is adopted
The wavelength and absorbance of collected spectrum are determined with spectral analysis apparatus, forms object sample A1Spectroscopic data；
Step II：To object sample A1Chemical analysis is carried out, analyzes its T kinds ingredient and content, forms the change of object sample
Learn detection data；The quantity of T expression compositions, that is, do the analysis of several ingredients, when analyzing object protein and starch
When, then T is 2, if increasing soluble sugar, T 3.T is more than or equal to 1, and ordinary circumstance does not limit greatest measure, only
Conditions permit is wanted, complete analysis can be done to the ingredient of object, such T may reach 20 or even 30；
Step III：By object A1Spectroscopic data and the same database of chemical detection data inputting, formed data mapping
X1；
Step IV：Repeat the above steps I, step II and step III, to object sample A2To An+1Carry out n times repetition, shape
Into n groups spectroscopic data and corresponding n groups chemical detection data, by spectroscopic data and the same database of chemical detection data inputting,
Form the data mapping set of the n groups data mapping of object sample A1；
Step V：Spectroscopic data in data mapping set in above-mentioned database is chosen to the extinction number of degrees of 2-100 wavelength
Value carries out corresponding with chemical detection data, determines the variation of 2-100 wavelength absorbance with chemical detection data variation with qualitative
With K formula of quantitative relationship；Wavelength value or wave-length coverage of the 2-100 wavelength in 700-2500nm；It will be above-mentioned
The K formula insertion calculation server of step.The wherein quantity of K representation formulas, K >=1 under normal circumstances, in order to which independent analysis is more
Component, K values are greater than T values, that is, the quantity of formula is centainly more than the quantity of ingredient, sometimes for being carried out at the same time multicomponent point
Analysis, needs K values to meet following relational expression：
Wherein C is number of combinations formal notation.
It is accurate to the either multiple detections into subassembly of each ingredient in order to consider, need spare formula, that is, needle
To abnormal data, there is imponderable situation in formula, should carry out operation, then when considering spare formula at this time, K to spare formula
Value then needs to meet following relational expression：
Wherein C is number of combinations formal notation.
Step VI：Other object samples are repeated with step I to transport to step V-arrangement into K formula of each object sample and insertion
Calculate server；
Step VII, the spectroscopic data of acquisition object new sample Y, by its input database and is input to calculation server
Meanwhile and examined object type Y and its ingredient that need to detect are inputted in calculation server, calculation server is according to automatic
With formula, the content for calculating each ingredient in kind of object Y obtains new sample chemical data, while the chemical data is output to
Display end and database, and measurement data mapping, the measurement data are formed with the spectroscopic data of object new sample Y in the database
Mapping maps to form newer data mapping set for the new object sample detection integrated information of statistical analysis with existing data；
Step VIII：K formula on the database and calculation server formed according to step I to step VII, by data
Library is connected with calculation server, while sets the data input pin of database and data output end, the number for setting calculation server
According to input terminal and data output end, the spectroscopic data model of object, wherein T >=1, K >=T are formed.
Preferably, n is more than or equal to 100.N represents sample detection quantity, and n values are bigger, then spectroscopic data and chemical detection number
According to quantity it is bigger, the data mapped in data acquisition system can be caused preferably to support the foundation of formula, the n values limited herein refer to
The minimum sample detection amount needed for model is established, maximum detection limit is unrestricted, can be by sample detection amount as long as conditions permit
Increase to more than 1000, even more than 10000.
Preferably, in the above method, the wave-length coverage of spectrum is 700-2500nm.Preferably, the wave-length coverage of spectrum is
Wave-length coverage of the wave-length coverage of 800-1800nm or spectrum for any range in 1500-2500 or 700-2500nm.
Preferably, in the above method, object for chemical composition is essentially identical but component content difference value 20% with
Interior similar object.The component content difference value refers to the absolute value of component content and each agricultural product sample in each agricultural samples
The percentage of the ratio of the average value of component content in product.
Preferably, object is for food, soil class etc., preferably agricultural production category, such as potato tubers, wheat seed
Grain, watermelon, leaf vegetables, apple etc..Such as establish the data model of potato, then in the above method, object sample is then horse
Bell potato sample, and sweet potato sample cannot be selected.
Preferably, in the above method, spectroscopic data is all wavelengths of nanometer integer grade wavelength and the data set of absorbance
It closes.That is, spectroscopic data is not only a figure either several wavelength datas, but all waves in selected range
Long absorbance even the absorbance of certain wavelength is zero, will be also recorded into spectroscopic data.
Preferably, in the above method, spectroscopic data is the wavelength and extinction of 1001 wavelength that wavelength is 800-1800nm
The data acquisition system of degree.
Preferably, in the above method, spectroscopic data is the wavelength and absorbance of 1001 wavelength that wavelength is 1500-2500
Data acquisition system.
The chemical measurement data of the present invention are also stoichiometry data, refer to be surveyed by the national standard of Cucumber
Measure the chemical data obtained.Such as the content of starch in potato, it needs to be surveyed according to national standard either professional standard
Amount can also use the instrument for meeting national standard measurement accuracy to measure.
Advantageous effect
Compared with prior art, the present invention has the advantages that：
1st, it is not only that multigroup spectroscopic data of many kinds of substance and multigroup chemical detection data is respectively independent by the type of substance
In input database, spectroscopic data and chemical detection data are mapped by substance classes, avoided at present only by spectrum
The defects of caused data are not independent in data inputting chemical detection data processor, it is difficult to reach formula update and replace, resistance
The flexible variation of formula is hindered, has also avoided the confusion of data call between calculation server and database, can not only realize to each
Substance classes calculate chemical composition content according to spectroscopic data, go back and can also realize the convenient inspection to same substance heterogeneity
Survey in addition can also to substance component content difference value of the same race be higher than 20% when quick accurate detection.Meanwhile each substance is used for
The data for establishing data model are minimum 50 groups of spectroscopic datas and 50 groups of corresponding chemical detection data, establish the number of data model
Data model accuracy according to the bigger foundation of base unit weight is higher.
2nd, in data mapping set in the database, 2-100 wavelength data is chosen from 700-2500nm, by 2-
Absorption values under 100 wavelength datas carried out with chemical detection data it is corresponding, determine the variation of 2-100 wavelength absorbance with
The qualitative and quantitative relationship of chemical detection data variation.Because the wavelength data in database is comprehensive, therefore chooses 2-100 wave
Long data and chemical measurement data carry out corresponding and establish that formula is then more convenient, and 2-100 wavelength data can be converted,
The selection of single wavelength section in current technology has been abandoned, uncertainty analysis has been formed, to the position inaccurate of wavelength.In addition, from
The accuracy that 2-100 wavelength data improves the data model of foundation is chosen in 700-2500nm, further reduces input
The error of chemical composition and content data is calculated after spectroscopic data by data model.
3rd, K formula of calculation server carrying according to the substance to be detected of input and its ingredient that need to be detected and can be treated
The spectroscopic data Auto-matching formula of substance is detected, the content of ingredient need to be detected by quickly calculating substance to be detected.Due to basis
The type of substance independently sets up database and corresponding mapping database, therefore the operation of calculation server and the database of each substance
It is also independent, therefore, calculation server can be quick according to the type of substance to be detected, spectroscopic data, the ingredient that need to detect
Accurately calculate the content of each ingredient of the substance.
While the operation independent for realizing formula, also ensure in the defeated time database that operation result can be independent, and
And during selection wavelength data, it is not necessary that whole wavelength datas are compared, only compare 2-100 wavelength in the server
Data, comparison efficiency is high, and does not influence original spectral data and be entered into database.For spectroscopic data and chemical detection
The quantity of the 2-100 wavelength data that data base unit weight increases and chosen from 700-2500nm, formula and formula obtains accordingly
It improves and increases, be also beneficial to the accuracy of further result of calculation.
Specific embodiment
The method of work of 1 database of embodiment and calculation server
Material：Potato tubers, randomly selects 300 potato tubers, transverse cuts from potato product, and light source shines
It penetrates and is collected with spectroscopic data for potato cross section.
Wheat obtains 200 parts at random from wheat products, and every part is placed in the container of 10 centimetres of diameter, height 2cm, light
Source is irradiated and spectroscopic data collects the upper plane for being directed to small dung heap in container.
Equipment：Light source irradiation unit, spectral collection device and spectral analysis apparatus be integral device or split equipment, market
It is commercially available.
Potato tubers is irradiated with light source, then collects the reflected near infrared spectrum of potato tubers, spectral region
For 800-1800nm, using near-infrared spectrum analysis device analysis spectral absorbance, the 800-1800nm of potato tubers is formed
Near infrared spectrum data, the spectroscopic data have 1001 light wave absorbance datas.
Chemical analysis is carried out to potato tubers, analyzes the content of starch, Vitamin C content, cellulose of potato tubers
Content forms the chemical detection data of potato tubers；
By the spectroscopic data of potato tubers and the same database of chemical detection data inputting, the 1st group of data mapping is formed；
299 groups of potato samples are extracted again, and the 299 groups of potato tubers randomly selected independently are carried out according to the method described above
Processing obtains 299 groups of spectroscopic datas and corresponding 299 groups of chemical detection data, by spectroscopic data and chemical detection data inputting
Same database forms 300 groups of data mapping of potato samples；
In 300 groups of data mapping in above-mentioned potato samples database, spectroscopic data chooses the suction of 4 wave-length coverages
Luminosity numerical value (1200-1300nm, 1400-1600nm, 1000-1100nm, 2000-2300nm), the absorption values of 4 wavelength
It is unified to be carried out with chemical detection data corresponding, determine 4 wavelength absorbances variations with chemical detection data variation with synchronous pass
4 formula of above-mentioned steps are embedded in calculation server by 4 formula of system.
Wheat is irradiated with light source, then collects the reflected near infrared spectrum of wheat, spectral region 1500-
2500nm using near-infrared spectrum analysis device analysis spectral absorbance, forms the near infrared spectrum of the 1500-2500nm of wheat
Data, the spectroscopic data have 1001 light wave absorbance datas.
Chemical analysis is carried out to wheat, analyzes the content of starch, protein content, content of cellulose of wheat, forms wheat
Chemical detection data；
By the spectroscopic data of wheat and the same database of chemical detection data inputting, the 1st group of data mapping is formed；
199 groups of wheat samples are extracted again, the 08 group of wheat randomly selected independently is handled according to the method described above, are obtained
199 groups of spectroscopic datas and corresponding 199 groups of chemical detection data, by spectroscopic data and the same data of chemical detection data inputting
Library forms 200 groups of data mapping of wheat samples；
In 200 groups of data mapping in above-mentioned wheat samples database, spectroscopic data chooses the extinction of 5 wave-length coverages
Number of degrees value (1400-1600nm, 1000-1100nm, 2000-2300nm, 900-950nm, 1700-1900nm), the suction of 5 wavelength
Luminosity numerical value is unified to carry out corresponding with chemical detection data, determines 5 wavelength absorbances variations and chemical detection data variation tool
There are 5 formula of synchronized relation, and 5 formula of above-mentioned steps are embedded in calculation server.
It acquires new potato tubers spectroscopic data typing potato database and is input to calculation server, choose simultaneously
4 wave-length coverage (1200-1300nm, 1400-1600nm, 1000-1100nm, 2000-2300nm) typing calculation servers, and
In calculation server input examined object type potato and its need to detect ingredient (content of starch, Vitamin C content,
Content of cellulose), calculation server calculates content of starch in potato, Vitamin C content, fibre according to Auto-matching formula
Tie up cellulose content.The content of starch, Vitamin C content, content of cellulose of potato tubers are output to display end, and simultaneously simultaneously
Input database, and test data mapping is formed with freshly harvested spectroscopic data in the database.
4 formula on the database and calculation server determined according to above-mentioned steps, by database and calculation server
It is connected, while the data input pin of database and data output end, the data input pin and data that set calculation server is set
Output terminal forms the spectroscopic data model of potato tubers.
New wheat spectroscopic data typing wheat database is acquired again and is input to calculation server, while chooses 5 waves
Long range (1400-1600nm, 1000-1100nm, 2000-2300nm, 900-950nm, 1700-1900nm) typing computational service
Device, and input in calculation server examined object type wheat and its ingredient that need to detect (content of starch, protein contain
Amount, content of cellulose), calculation server calculates content of starch in wheat, protein content, fibre according to Auto-matching formula
Tie up cellulose content.The content of starch, Vitamin C content, content of cellulose of wheat stem tuber are output to display end, and defeated simultaneously simultaneously
Enter database, and form test data mapping with freshly harvested spectroscopic data in the database.
5 formula on the database and calculation server determined according to above-mentioned steps, by database and calculation server
It is connected, while the data input pin of database and data output end, the data input pin and data that set calculation server is set
Output terminal forms the spectroscopic data model of wheat.
Claims (9)
1. the method for work of a kind of database and calculation server, which is characterized in that by the n groups spectroscopic data of object sample and respectively
The corresponding n groups chemical detection data of object sample form multiple primary databases by the same database of kind of object typing, primary
Database is connect with calculation server, and the data that calculation server receives primary database press object sample type by each object sample
Multigroup spectroscopic data of product and multigroup chemical detection data form data mapping set, from data mapping set, choose 2-100
The absorption values of a wavelength carry out corresponding with chemical detection data, determine the variation of 2-100 wavelength absorbance and chemical detection
Data variation has qualitative and quantitative relationship K formula, and K formula is embedded in calculation server；By new spectroscopic data typing
Database and calculation server is input to, calculation server is according to the examined object type of input and its ingredient of required detection
Auto-matching formula, realizes the content that material composition to be detected is calculated according to new spectroscopic data, and the 2-100 wavelength is selected from
Wavelength value or wave-length coverage in 700-2500nm, wherein, chemical detection data include T kinds ingredient and its content detection, T >=1,
K >=T, n >=50；The object sample is food.
2. the method for work of a kind of database and calculation server, which is characterized in that this method comprises the following steps：
Step I：Object sample A to be detected is irradiated with light source1, then collect object sample A1Reflected spectrum, using light
Spectrum analysis equipment determines the wavelength and absorbance of collected spectrum, forms object sample A1Spectroscopic data；
Step II：To object sample A1Chemical analysis is carried out, analyzes its T kinds ingredient and content, forms the chemical detection of object sample
Data；
Step III：By object A1Spectroscopic data and the same database of chemical detection data inputting, formed data mapping X1；
Step IV：Repeat the above steps I, step II and step III, to object sample A2To An+1N times repetition is carried out, forms n groups
Spectroscopic data and corresponding n groups chemical detection data, by spectroscopic data and the same database of chemical detection data inputting, formation
Body sample A1N groups data mapping data mapping set；
Step V：By in data mapping set in above-mentioned database spectroscopic data choose 2-100 wavelength absorption values and
Chemical detection data are corresponded to, and it is qualitative and fixed to determine that 2-100 wavelength absorbance variation and chemical detection data variation have
K formula of magnitude relation；Wavelength value or wave-length coverage of the 2-100 wavelength in 700-2500nm；By above-mentioned steps
K formula insertion calculation server；
Step VI：To at least one set of new object sample B1To Bn+1Repeat K formula of the step I to step V-arrangement into each object sample
And embedded calculation server；
Step VII, the spectroscopic data of acquisition object new sample Y, by its input database and while be input to calculation server,
And examined object type Y and its ingredient that need to be detected are inputted in calculation server, calculation server is according to Auto-matching public affairs
Formula, the content for calculating each ingredient in kind of object Y obtain new sample chemical data, while the chemical data is output to display
End and database, and measurement data mapping is formed with the spectroscopic data of object new sample Y in the database, measurement data mapping
It maps to form newer data mapping set for the new object sample detection integrated information of statistical analysis with existing data；
Step VIII：K formula on the database and calculation server formed according to step I to step VII, by database and
Calculation server is connected, while sets the data input pin of database and data output end, the data of setting calculation server defeated
Enter end and data output end, form the spectroscopic data model of object, wherein T >=1, K >=T.
3. method according to claim 1 or 2, which is characterized in that n is more than or equal to 100；By other object samples in step VI
Product include when repeating step I to step V-arrangement into K formula of each object sample and embedded calculation server to object sample Y into
The same processing of row.
4. method according to claim 1 or 2, it is characterised in that the wave-length coverage of spectrum is 700-2500nm；Or spectrum
Wave-length coverage be 800-1800nm or the wave-length coverage of spectrum is 1500-2500.
5. according to the method described in claim 3, it is characterized in that object is chemical composition is essentially identical but component content
Similar object of the difference value within 20%.
6. according to the method described in claim 1, it is characterized in that the food includes but not limited to grain, water fruits and vegetables
Deng.
7. according to the method described in claim 5, it is characterized in that spectroscopic data for nanometer integer grade wavelength all wavelengths and
The data acquisition system of absorbance.
8. according to the method described in claim 2, it is characterized in that 1001 waves that it is 800-1800nm that spectroscopic data, which is wavelength,
Long wavelength and the data acquisition system of absorbance or the spectroscopic data are the wavelength of 1001 wavelength that wavelength is 1500-2500
With the data acquisition system of absorbance.
9. according to the method described in claim 8, it is characterized in that T >=1, K >=T, it is preferred that K values meet following relational expression：
Wherein C is number of combinations formal notation.
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