CN108007913A - Spectral manipulation device, method and authenticity of medicament decision-making system - Google Patents
Spectral manipulation device, method and authenticity of medicament decision-making system Download PDFInfo
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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
- G01N21/62—Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light
- G01N21/63—Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light optically excited
- G01N21/65—Raman scattering
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- G—PHYSICS
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- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
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Abstract
This hair provide it is a kind of more effectively can more effectively eliminate the spectral manipulation device of the Acquisition Error caused by fluorescent impurity, noise etc. and the authenticity of medicament decision-making system comprising the spectral manipulation device, while additionally provide a kind of method handled spectrum.The spectral manipulation device of the present invention, including：Pixel bad point judges processing unit, judges to receive qualified spectrum with the presence or absence of pixel bad point and obtains pixel reparation spectrum to carrying out repair process there are the qualified spectrum of pixel bad point；Background deduction processing unit repairs pixel spectrum or judges that carrying out background deduction there is no the qualified spectrum of pixel bad point handles to obtain background deduction spectrum；Smoothing processing portion is smoothed background deduction spectrum to obtain smooth spectrum；Spectrum merging portion, when qualification rate meets predetermined qualification rate, by predetermined merging method, the smooth spectrum that similarity is greater than or equal to predetermined threshold merges to obtain merging spectrum；Final spectrum configuration part, which is set, merges spectrum as final spectrum.
Description
Technical field
The present invention relates to a kind of spectral manipulation devices and methods therefor and authenticity of medicament decision-making system.
Background technology
With the rapid development of molecular spectroscopy techniques, spectral instrument also constantly renewal and popularization, due to using spectrum skill
It simultaneously can rapidly and accurately analyze sampled result realization detection sample progress Non-Destructive Testing art, so being very suitable for applying
In the quick decision-making system to authenticity of medicament, by quickly providing comparison result, so as to judge the true and false of medicine, but due to
The spectrum collected can be subject to fluorescent impurity, noise etc. to influence, and can cause the inconsistency of collection result, so as to influence to compare
As a result, then if qualified spectrum is directly compared with standard pharmaceutical spectrum, erroneous judgement necessarily occurs.So in order to efficient
The application analysis model or method established in advance, eliminate it is above-mentioned caused by SPECTRAL DIVERSITY, the accuracy of comparison is improved with this,
It is particularly important.
The content of the invention
The present invention carries out to solve the above problems, there is provided one kind can be eliminated more effectively since fluorescence is miscellaneous
The spectral manipulation device of Acquisition Error caused by matter, noise etc. and the authenticity of medicament judgement system comprising the spectral manipulation device
System, while additionally provide a kind of method handled spectrum.
The present invention to achieve these goals, is employed with lower structure and method：
The present invention provides a kind of spectral manipulation device, at the qualified spectrum of spectral quality detection device
Reason, it is characterised in that including：Receiving division, receives the qualified spectrum of multiple same medicines；Pixel bad point judges processing unit, judges
Qualified spectrum whether there is pixel bad point, bad to carrying out pixel there are the qualified spectrum of pixel bad point when there are during pixel bad point
Point repair process obtains pixel and repairs spectrum；Background deduction processing unit, repairs spectrum to pixel according to predetermined subtraction method or sentences
The disconnected qualified spectrum there is no pixel bad point carries out background deduction and handles to obtain background deduction spectrum；Smoothing processing portion, according to pre-
Determine smoothing method background deduction spectrum is smoothed to obtain smooth spectrum；Spectrum similarity measure portion, calculates smooth light
The similarity of spectrum；Spectrum qualification rate judging part, judges that the qualification rate that similarity is greater than or equal to the smooth spectrum of predetermined threshold is
It is no to meet predetermined qualification rate；Spectrum merging portion, when qualification rate meets predetermined qualification rate, by predetermined merging method, by similarity
Smooth spectrum more than or equal to predetermined threshold merges to obtain merging spectrum；Final spectrum configuration part, setting merge spectrum
For final spectrum.
It is corresponding not with predetermined harvester model based on being stored with present invention also offers a kind of spectral manipulation device
With the standard substance library of spectra of the preassigned substance spectra of standard substance, to the qualified spectrum from spectral quality detection device
It is modified processing, it is characterised in that including：Receiving division, receives the qualified spectrum of multiple same medicines；At pixel bad point judgement
Reason portion, judges that qualified spectrum whether there is pixel bad point, when there are during pixel bad point, to there are the qualified spectrum of pixel bad point into
Row pixel bad point repair process obtains pixel and repairs spectrum；Background deduction processing unit, according to predetermined subtraction method to pixel reparation
Spectrum judges that carrying out background deduction there is no the qualified spectrum of pixel bad point handles to obtain background deduction spectrum；Smoothing processing
Portion, is smoothed background deduction spectrum according to predetermined smoothing method to obtain smooth spectrum；Spectrum similarity measure portion, meter
Calculate the similarity of smooth spectrum；Spectrum qualification rate judging part, judges that similarity is greater than or equal to the smooth spectrum of predetermined threshold
Whether qualification rate meets predetermined qualification rate；Spectrum merging portion, when qualification rate meets predetermined qualification rate, by predetermined merging method,
The smooth spectrum that similarity is greater than or equal to predetermined threshold merges to obtain merging spectrum；Acquisition unit is searched for, based on correction
Standard substance title, searches for from standard substance library of spectra and obtains corresponding preassigned substance spectra；Local maximum obtains
Portion is taken, according to predetermined acquisition methods, acquisition and the corresponding standard local maximum of preassigned substance spectra, and acquisition and school
The corresponding correction local maximum of positive standard substance spectrum；Offset deviation value calculating part, is obtained from preassigned substance spectra
Take with the corresponding standard shift value of standard local maximum, and from calibration standard substance spectra obtain with correction local maxima
It is worth corresponding correction shift value, standard shift value and correction shift value is subtracted each other, obtain offset deviation value；Displacement correction curve
Fitting portion, using the numerical value of standard shift value as abscissa, is fitted to obtain corresponding by predetermined approximating method to displacement deviation
Displacement correction curve, the ordinate of the displacement correction curve is known as displacement correction value；Displacement correction portion, it is bent based on displacement correction
Line, displacement correction spectrum is obtained to merging spectrum progress shift value corrected Calculation；Final spectrum configuration part, sets displacement correction light
Compose as final spectrum.
In above-mentioned spectral manipulation device provided by the invention, it can also have the feature that：Wherein, pixel bad point is sentenced
Disconnected processing unit includes：Average dark current value computing unit, from qualified spectrum obtain dark current value after be averaging obtain it is averagely dark
Current value；Dark current variance computing unit, carries out variance calculating to dark current value, obtains dark current variance yields.Preset range meter
Unit is calculated, by average dark current value and 2-8 times of dark current variance yields is subtracted each other and addition calculation, obtains preset range；Picture
Plain bad point judging unit, judges whether the dark current value of qualified spectrum meets the condition in preset range；The adjacent shift value of bad point
Acquiring unit, acquisition are located at not two adjacent displacements before and after the corresponding shift value of the dark current value of the preset range
Value；Repair strength value computing unit, obtains the corresponding intensity level of described two adjacent shift values respectively and averaging obtains
Repair strength value；Pixel bad point repairs unit, by with the corresponding intensity level of dark current value of preset range, not replacing with and repairing
Multiple intensity level, obtains pixel bad point and repairs spectrum.
In above-mentioned spectral manipulation device provided by the invention, it can also have the feature that：Wherein, wherein, make a reservation for
Subtraction method adaptive iteration penalized least-squares method.
In above-mentioned spectral manipulation device provided by the invention, it can also have the feature that：Wherein, smooth side is made a reservation for
Method is Whittaker penalized least-squares methods.
In above-mentioned spectral manipulation device provided by the invention, it can also have the feature that：Wherein, the predetermined conjunction
The number that lattice rate is greater than or equal to the smooth spectrum of predetermined threshold for the similarity accounts for the hundred of the smoothly total number of spectrum
Divide than being more than or equal to 50%.
In above-mentioned spectral manipulation device provided by the invention, it can also have the feature that：Wherein, predetermined threshold is
0.90-0.99。
In above-mentioned spectral manipulation device provided by the invention, it can also have the feature that, wherein, the predetermined conjunction
And method comprises the following steps：Step 1, it is greater than or equal to from all similarities in the smooth spectrum of predetermined threshold and obtains respectively
Take and the corresponding intensity level of same shift value；Step 2, the intensity level obtained in step 1 is averaging, obtained averagely strong
Angle value；Step 3, using the shift value in step 1 as abscissa, using the average intensity value as ordinate, the conjunction is obtained
And spectrum.
Present invention also offers a kind of authenticity of medicament decision-making system, with spectra collection system and containing standard substance spectrum
Storehouse is connected with the library storage system of standard pharmaceutical library of spectra, for judging the true and false of medicine, it is characterised in that including：Spectrum
Reception device, receives the medicine spectrum from spectra collection system and sends the medicine spectrum more than predetermined number；Spectrum
Quality detection device, receives medicine the spectrum more than predetermined number, quality testing is carried out to the medicine spectrum, and will close
The medicine spectrum of lattice is determined as qualified spectrum；Spectral manipulation device, based on the standard substance library of spectra, to the qualification
Spectrum is modified processing, and the qualified spectrum for completing correcting process is set as final spectrum；Spectrum, which compares, judges dress
Put, based on the standard pharmaceutical library of spectra, the judgement of the true and false is carried out to the final spectrum, wherein, the spectral manipulation
Device is the spectral manipulation device described in above-mentioned any one.
Present invention also offers a kind of spectral manipulation method, at the qualified spectrum of spectral quality detection device
Reason, it is characterised in that comprise the following steps：Receive the qualified spectrum of multiple same medicines；Judge that qualified spectrum whether there is picture
Plain bad point, when there are during pixel bad point, carrying out pixel bad point repair process to obtain pixel to there are the qualified spectrum of pixel bad point
Repair spectrum；Spectrum is repaired to pixel according to predetermined subtraction method or judges that there is no the qualified spectrum of pixel bad point to carry out background
Deduction handles to obtain background deduction spectrum；Background deduction spectrum is smoothed according to predetermined smoothing method to obtain smooth light
Spectrum；Calculate the similarity of smooth spectrum；Judge whether completely similarity is greater than or equal to the qualification rate of the smooth spectrum of predetermined threshold
The predetermined qualification rate of foot；When qualification rate meets predetermined qualification rate, by predetermined merging method, similarity is greater than or equal to predetermined threshold
The smooth spectrum of value, which merges to obtain, merges spectrum；Set and merge spectrum as final spectrum.
The effect of invention
Spectral manipulation device, method and the authenticity of medicament decision-making system being related to according to the present invention, since spectral manipulation fills
Put and judge processing unit, background deduction processing unit, smoothing processing portion with pixel bad point, can be to carrying out picture to the qualified spectrum of reception
Plain bad point repair process, background deduction processing unit and smoothing processing, improve the uniformity of collection result, therefore further carry
High authenticity of medicament judges the accuracy of result；Again since spectral manipulation device further includes spectrum similarity measure portion, spectrum closes
Lattice rate judging part and spectrum merging portion, can merge processed spectrum to obtain merging spectrum, simplify authenticity of medicament
Decision process.
Brief description of the drawings
Fig. 1 is the structure diagram of the authenticity of medicament judgement system in embodiment according to the present invention；
Fig. 2 is the structure diagram of medicine identification system in embodiment according to the present invention；
Fig. 3 is the structure diagram of spectral manipulation device in embodiment according to the present invention；
Fig. 4 is spectrum contrast schematic diagram of the embodiment of the present invention before and after middle progress pixel bad point repair process；
Fig. 5 is that the spectrum contrast schematic diagram of background deduction before and after the processing is carried out in embodiment according to the present invention；
Fig. 6 is that front and rear spectrum contrast schematic diagram is smoothed in embodiment according to the present invention；
Fig. 7 is the contrast schematic diagram carried out in embodiment according to the present invention before and after spectrum merging treatment；
Fig. 8 is the exemplary plot of the Gaussian peak in embodiment of the present invention；
Offset deviation curve exemplary plot in Fig. 9 embodiments according to the present invention；
Figure 10 is the action flow chart of the authenticity of medicament decision-making system in embodiment according to the present invention；
Figure 11 is the action flow chart of the spectral manipulation device in embodiment according to the present invention.
Embodiment：
Spectral manipulation device of the present invention, method and authenticity of medicament decision-making system are carried out below in conjunction with the accompanying drawings detailed
Thin explanation.
<Embodiment>
Fig. 1 is the structure diagram of the authenticity of medicament judgement system in embodiment according to the present invention.
As shown in Figure 1, authenticity of medicament quickly judges that system 1 is used to quickly judge the true and false of medicine, including can phase
Library storage system 100, spectra collection system 200 and the authenticity of medicament decision-making system 300 of mutual transfer data information.
Library storage system 100 includes standard pharmaceutical library of spectra 110 and standard substance library of spectra 120.
Standard pharmaceutical library of spectra 110 includes standard pharmaceutical spectrum storage part 111 and search section 112.
Storage information in standard pharmaceutical spectrum storage part 111 includes the corresponding standard pharmaceutical Raman spectrum of various medicines,
Here standard pharmaceutical Raman spectrum refers to that medicine spectrum obtains after various Raman spectrum quality testings and correcting process
Spectrum, reference standard during for judging as authenticity of medicament.In the present embodiment, medicine the adopting with same model of different names
Set up based on acquisition means.Storage Examples of information in standard pharmaceutical spectrum storage part 111 is shown in Table 1, and includes adopting in table 1
Acquisition means model column, nomenclature of drug column corresponding with harvester model and corresponding standard pharmaceutical spectrum column, in table 1
Standard pharmaceutical spectrogram and standard pharmaceutical spectrum data combine digital representation with letter.As shown in table 1, different medicines in table
Spectrum is that the harvester of harvester model " 00 " is gathered, and different nomenclature of drug corresponds to different standard pharmaceutical light
Spectrum.
The storage Examples of information of 1 standard pharmaceutical spectrum storage part of table
Search section 112 is scanned for according to received search instruction in standard pharmaceutical library of spectra 110, obtains the mark of needs
Quasi drug spectrum.
Standard substance library of spectra 120 includes standard substance spectrum storage part 121 and search section 122.
Standard substance spectrum storage part 121 gathers different names to set up same harvester of standard pharmaceutical library of spectra
Standard substance set up, containing harvester model, various criterion material title and with the corresponding mark of standard substance title
Quasi- substance spectra, distinguishes, which is named as preassigned substance spectra, standard substance uses state for convenience
Standard substance as defined in border.Storage Examples of information in standard substance spectrum storage part 121 is shown in Table 2, the reference material in table 2
Matter title and preassigned substance spectra combine digital representation with letter.In table 2, harvester is with the harvester in table 1
Same harvester, in table 2, various standard substances correspond to respective preassigned substance spectra.
The storage Examples of information of 2 standard substance spectrum storage part of table
As shown in Figure 1, spectra collection system 200 includes bar code recognition portion 210, spectra collection portion 220, temporary storage part 230
And upload unit 240.
Bar code recognition portion 210 is used for the bar code for identifying the outer packing of candidate drug, obtains medicine corresponding with the medicine
The name of an article such as claims at the information, and is stored into temporary storage part 230.
Spectra collection portion 220 is acquired a tablet of medicine to be determined, and collection once obtains a medicine light
Spectrum, and temporary storage part 230 is stored into one by one.
Upload unit 240 is by the harvester signal in temporary storage part 230, nomenclature of drug, medicine spectrum, calibration standard material name
Title and calibration standard substance spectra etc. are uploaded to authenticity of medicament decision-making system 300 and carry out subsequent treatment and judgement.Calibration standard
Substance spectra is for can be corrected in follow-up work to the error between instrument, is that spectra collection portion 220 establishes rules one
The standard substance spectrum that periodically the certain international reference materials of collection obtains in limit, for the ease of difference, is named as calibration standard thing
Matter title and calibration standard substance spectra.It is set as having carried out 5 collections in the present embodiment, obtains 5 medicine spectrum, upload
Calibration standard substance spectra is that calibration standard material is sampled to obtain before this carries out medicine spectra collection.For the ease of saying
Bright, in the present embodiment, the nomenclature of drug of this sampling represents that the model of spectra collection system 200 is represented with 04, is obtained with G
Five medicine spectrum represent that calibration standard material title is represented with B3, calibration standard thing with G-1, G-2, G-3, G-4, G-5 respectively
Matter spectrum is represented with B3-G4.
Fig. 2 is the structure diagram of medicine identification system in embodiment according to the present invention.
As shown in Fig. 2, authenticity of medicament decision-making system 300 include spectrum acquisition device 310, spectral quality detection device 320,
Spectral manipulation device 330, spectrum compare decision maker 350 and the control device 360 of the above-mentioned each device operation of control.
Spectrum acquisition device 310 includes receiving division 311, judging part 312 and output section 313.Receiving division 311, which receives, to be uploaded
The information that portion 240 transmits；Judging part 312 judges the number of the medicine spectrum of reception, judges whether that satisfaction is more than
Or equal to predetermined number condition；When judging result is meets to be more than or equal to predetermined number, output section 313 is defeated by the information of reception
Go out to spectral quality detection device 320, when judging result for when being unsatisfactory for being more than or equal to predetermined number, then output medicine spectrum is a
The information of number deficiency feeds back to spectra collection system 200.The present embodiment predetermined number is 3, and obtained medicine spectrum number is
5, meet condition, so the information that receiving division 311 is received is sent to spectral quality detection device 320.
Spectral quality detection device 320 includes receiving division 321, temporary storage part 321, quality testing determination unit 323, judging part
324 and output section 325.Receiving division 321 is used for the above- mentioned information that Rreceive output portion 313 exports, and keeps in temporary storage part 321
In；Quality testing determination unit 323 carries out spectral quality detection one by one to the medicine spectrum in temporary storage part 321, and will meet quality
Medicine spectrum be set as qualified spectrum.Judging part 324 judges the number of the qualified spectrum in temporary storage part 321, judges
Whether meet it is above-mentioned be more than or equal to 3 condition；Output section 325 will determine that portion 324 judge meet more than or equal to 3 qualified spectrum,
The information such as harvester model, nomenclature of drug, calibration standard material title and calibration standard substance spectra are exported at spectrum
Device 330 is managed, when judging part 324 judges to be unsatisfactory for predetermined condition, output section 325 then exports the letter of medicine spectrum number deficiency
Breath feeds back to spectra collection system 200.In the present embodiment, for the qualified spectrum that the medicine spectrum that receives obtains afterwards after testing
Number is 3, is respectively G-2, G-3, G-4, meets to be more than or equal to 3, so exporting qualified spectrum and relevant information at spectrum
Manage device 330.
Fig. 3 is the structure diagram of spectral manipulation device in embodiment according to the present invention.
As shown in figure 3, spectral manipulation device 330, which includes receiving division 331, temporary storage part 332, pixel bad point, judges processing unit
333rd, background deduction processing unit 334, smoothing processing portion 335, spectrum similarity measure portion 336, spectrum qualification rate judging part 337,
Spectrum merging portion 338, search acquisition unit 339, local maximum acquisition unit 340, offset deviation value calculating part 341, displacement correction
What curve matching portion 342, displacement correction portion 343, final spectrum configuration part 344, output section 345 and the above-mentioned each portion of control were run
Control unit 346.
Qualified spectrum, harvester signal, nomenclature of drug, the correcting mark that 331 Rreceive output portion 325 of receiving division sends over
The information such as quasi- material title and calibration standard substance spectra, and store into temporary storage part 332.
Pixel bad point judges that processing unit 333 includes average dark current value computing unit 3331, dark current variance computing unit
3332nd, preset range computing unit 3333, pixel bad point judging unit 3334, the adjacent shift value acquiring unit 3335 of bad point, repair
Multiple intensity level computing unit 3336 and pixel bad point repair unit 3337.
Average dark current value computing unit 3331 is averaged after each dark current value is obtained from qualified spectrum
Dark current value.
Dark current variance computing unit 3332 is based on average dark current value obtained above, to all dark in qualified spectrum
Current value carries out variance calculating, obtains dark current variance yields.
Average dark current value and 2-8 times of dark current variance yields are carried out subtraction calculations by preset range computing unit 3333,
5 times of dark current variance yields is taken in the present embodiment, obtains the lower limit of preset range, by average current value and 5 times of dark electricity
Flow variance yields and carry out addition calculation, obtain the upper limit value of preset range.
Whether the dark current value that pixel bad point judging unit 3334 judges to obtain meets the condition in preset range, works as judgement
As a result for when meeting, it is not necessary to carry out pixel bad point reparation, be directly entered subsequent treatment.
It is located at the corresponding position of pixel bad point when judging result for when meeting, the adjacent shift value acquiring unit 3335 of bad point obtains
The adjacent shift value of front and rear two of shifting value.
Repair strength value computing unit 3336 obtains corresponding two intensity of above-mentioned two shift values being calculated
Value, and two intensity levels are averaging to obtain Repair strength value.
Fig. 4 is spectrum contrast schematic diagram of the embodiment of the present invention before and after middle progress pixel bad point repair process.
Pixel bad point repairs unit 3337 by the corresponding intensity level of the corresponding shift value of pixel bad point, replaces with above-mentioned reparation
Intensity level, obtains pixel bad point and repairs spectrum.As shown in figure 4, in figure A be there are the spectrogram of pixel bad point, it is small perpendicular in figure
Line represents pixel bad point, and B is the spectrogram after pixel bad point is repaired.
Fig. 5 is that the spectrum contrast schematic diagram of background deduction before and after the processing is carried out in embodiment according to the present invention.
Background deduction processing unit 334 presses predetermined subtraction method, to there is no the qualified spectrum of pixel bad point or pixel bad point
Spectrum is repaired, fluorescence background is deducted correcting process caused by containing impurity etc. when detection, obtains background deduction spectrum.
Predetermined subtraction method is adaptive iteration penalized least-squares method, parameter name and scope：Smoothing parameter [10,10^9], punish
Penalize exponent number：2, smoothing parameter [10,100], punishes exponent number：1.To the light before and after progress background deduction correcting process in the present embodiment
Spectrum comparison example is shown in Fig. 5, and A is the spectrogram before background deduction in figure, and B is the spectrogram after background deduction.
Fig. 6 is that front and rear spectrum contrast schematic diagram is smoothed in embodiment according to the present invention.
Smoothing processing portion 335 is smoothed background deduction spectrum, removes due to noise according to predetermined smoothing method
Caused burr, obtains smooth spectrum.Predetermined smoothing method is Whittaker penalized least-squares methods, smoothing parameter [10,10
^9], punish exponent number：2, smoothing parameter [10,100], punishes exponent number：1.Here the smooth spectrum storage obtained is corresponding to temporary storage part
Qualified file in.Fig. 6, which is shown, is smoothed front and rear contrast, and A is the spectrogram before smoothing processing in figure, and B is flat
Spectrogram after sliding processing.
Processing unit 333 is judged into the processing procedure in smoothing processing portion 335 from pixel bad point, to all qualified spectrum one by one
Above-mentioned processing is carried out, has often handled one, is set as smooth spectrum, and store into temporary storage part 332.In the present embodiment, this reality
Received three of example docking qualified spectrum G-2, G-3, G-4 are applied, after carrying out above-mentioned processing, three smooth spectrum is obtained, is respectively：
G-P1、G-P2、G-P3。
Spectrum similarity measure portion 336 calculates the corresponding similarity of each smooth spectrum by comparing two-by-two.The present embodiment
In, it is computed as shown in table 3, after comparing two-by-two, the similarity of three smooth spectrum is respectively 0.98,0.97,0.99.
The qualified spectrum similarity-rough set result of 3 three, table
Spectrum qualification rate judging part 337 includes qualification rate computing unit 3371 and qualification rate judging unit 3372.
Qualification rate computing unit 3371 calculates similarity and is greater than or equal to the smooth spectrum number of predetermined threshold and putting down always
The ratio of the number of sliding spectrum, obtains qualification rate, predetermined threshold range 0.90-0.99, and predetermined threshold is in the present embodiment
0.95。
Qualification rate judging unit 3372 judges whether above-mentioned qualification rate meets predetermined qualification rate, when judging result is satisfaction
When, then continue subsequent treatment, when judging result for when being unsatisfactory for, then stopping is handled.In the present embodiment, it is more than for the similarity
Or it is more than or equal to 50% equal to the percentage of the number total number that accounts for the smooth spectrum of the smooth spectrum of predetermined threshold, and
And when the total number of the smooth spectrum is less than or equal to 3, the predetermined qualification rate is 100%, when the predetermined qualification rate is
When 50%, the total number of the smooth spectrum is more than or equal to 6.Three smooth spectrum that the present embodiment obtains, similarity are all higher than
95%, so qualification rate is 100%, meet the requirement of predetermined qualification rate.
The smooth spectrum that spectrum merging portion 338 is greater than or equal to similarity predetermined threshold is closed by predetermined merging method
And obtain merging spectrum, predetermined merging method comprises the following steps：
Step 1, it is greater than or equal to from all similarities in the smooth spectrum of predetermined threshold and obtains and same shift value respectively
Corresponding intensity level；
Step 2, the intensity level obtained in step 1 is averaging, obtains average intensity value；
Step 3, using the shift value in step 1 as abscissa, using average intensity value as ordinate, that is, obtain merging spectrum.
For example, in the present embodiment, the shift value and corresponding intensity level difference of three smooth spectrum are as shown in table 3.
As can be seen from Table 4, three smooth spectrum are distinguished corresponding with identical multiple shift values, with each shift value respectively
Multiple intensity levels.
The intensity level schematic diagram that 4 spectrum of table obtains in merging
Above-mentioned intensity level is averaging, it is as follows：
Thus, the merging spectrum obtained, is represented in the present embodiment, shift value and the intensity level such as institute of table 5 of G-BP with G-BP
Show.
Fig. 7 is the contrast schematic diagram carried out in embodiment according to the present invention before and after spectrum merging treatment.
It is a clearly spectrum after merging it can also be seen that being a plurality of overlapping spectrogram before spectrum merging from Fig. 7
Figure.
Table 5 merges spectral displacement value and intensity level example
Search acquisition unit 339 includes search instruction setup unit 3391 and preassigned substance spectra receiving unit 3392.
Search instruction setup unit 3391 is based on calibration standard material title, and corresponding preassigned material light is searched in setting
Above-mentioned search instruction and acquisition instruction are simultaneously sent to standard substance library of spectra, standard substance library of spectra 120 by the search instruction of spectrum
Search section 122 standard substance spectrum storage part 121 is scanned for by the search instruction：On one column of standard substance title one by one
Scan for.When searching as calibration standard material title, standard substance library of spectra 120 is by the standard substance title
Corresponding preassigned substance spectra is sent to spectral manipulation device 330.
Preassigned substance spectra receiving unit 3392 receives the preassigned material that standard substance library of spectra 120 is sent
Spectrum, and store into temporary storage part 332.
Local maximum acquisition unit 340 obtains and the corresponding mark of preassigned substance spectra according to predetermined acquisition methods
Quasi- local maximum, and obtain and the corresponding correction local maximum of calibration standard substance spectra.In the present embodiment, according to height
This function obtains, and acquisition methods comprise the following steps：
Step 1, according to Gaussian function, respectively each peak to preassigned substance spectra, to calibration standard substance spectra
Each peak be fitted after, respectively obtain corresponding each Gaussian peak, wherein, be individually fitted for separated peak, and for
Continuous overlap peak, together fitting obtain new peak, distinguish, will obtain here and preassigned substance spectra pair for convenience
The Gaussian peak answered is named as preassigned Gaussian peak, will obtain Gaussian peak corresponding with calibration standard substance spectra and is named as school
Positive gauss peak, shown in the Gaussian function such as formula (1) used in the present embodiment：
Wherein, A is peak area, and y is maximum of intensity, yoFor baseline, w is peak width, and x is the corresponding peak position of maximum of intensity
Move, xcFor the peak shift after fitting.
Fig. 8 is the comparative examples figure that the spectrum in embodiment of the present invention is fitted front and rear peak.
As shown in figure 8, it is the original qualified spectrum spectrogram in part before being fitted that Fig. 8, which is middle solid line, dotted line obtains after being
The part standard gaussian peak collection of illustrative plates schematic diagram, it can be seen from the figure that fitting before, there is detached peaks A, there is also very
More continuous overlap peak, such as region B, after fitting, are individually fitted this detached peakses of A, obtain corresponding fitted Gaussian peak, right
All overlap peaks in the B of region are fitted to obtain a corresponding fitted Gaussian peak, the overlap peak in detached peaks A and region B
Corresponding fitting peak is respectively such as black arrow meaning in Fig. 8.
Step 2, the peak value obtained near the corresponding Gaussian peak of preassigned substance spectra is obtained as standard local maxima
Value, correction local maximum is obtained from the peak value for obtaining the corresponding Gaussian peak of calibration standard substance spectra as neighbouring.Such as Fig. 8 institutes
Show, standard local maximum is the intensity level that the meaning of falling black arrow is located in Fig. 8, and similarly, correction local maximum is also
It is similar.
Offset deviation value calculating part 341 includes the shift value acquiring unit 3411 of local maximum and offset deviation calculates list
Member 3412.The shift value acquiring unit 3411 of local maximum is respectively from preassigned substance spectra and calibration standard substance spectra
It is middle to obtain the corresponding shift value of respective standard local maximum, for convenience of description, will be corresponding with standard local maximum
Shift value, be named as standard shift value, will be obtained from calibration standard substance spectra with correction local maximum it is corresponding
Shift value, be named as correction shift value；Offset deviation computing unit 3412 is by above-mentioned standard shift value with correcting shift value phase
Subtract, obtain difference, be named as offset deviation value；
Since above-mentioned standard Gaussian peak is that each ripple of former preassigned spectrum is fitted to obtain, so one predetermined
Standard substance spectrum can all obtain many standard gaussian peaks, will also obtain many standard local maximums, also just obtain certainly
Same amount of corresponding standard shift value, similarly, can also obtain the correction local maximum of respective numbers and corresponding school
Positive displacement value, also just obtains corresponding each offset deviation value after calculating.
Displacement correction curve matching portion 342, using the numerical value of each standard shift value of above-mentioned acquisition as abscissa, by predetermined
Approximating method is fitted to obtain corresponding displacement correction curve to above-mentioned each offset deviation value, for convenience of description, by this
The abscissa of displacement correction curve is named as curve displacement value, and ordinate is known as displacement correction value, above-mentioned predetermined in the present embodiment
Approximating method is polynomial fitting method, and polynomial order is the integer between 1 to 9, generally selects three rank multinomials and is fitted, three
Rank multinomial function is shown in formula (3)：
λ p, i, λ s, I represent the displacement on standard gaussian peak and local Gaussian peak position, λ behalf preassigned things respectively
Matter spectral displacement, β 3, β 2, β 1, β 0 represent the coefficient of corresponding three rank multinomial.
Offset deviation curve exemplary plot in Fig. 9 embodiments according to the present invention.
As shown in figure 9, the x-axis in figure represents the shift value of offset deviation curve, represented with curve displacement value, y-axis represents
Displacement correction value.
Displacement correction portion 343 includes displacement correction value acquiring unit 3431 and displacement correction computing unit 3432.Based on flat
Each shift value of sliding spectrum, displacement correction value acquiring unit 3431 obtain corresponding displacement from above-mentioned displacement correction curve and repair
On the occasion of, namely on abscissa in displacement fair curve, the curve displacement value consistent with the shift value of smooth spectrum is found, with
This obtains displacement correction value corresponding with curve displacement value；Displacement correction computing unit 3432, by the above-mentioned displacement correction of acquisition
Value is added with corresponding above-mentioned shift value, and the shift value of smooth spectrum is just corrected, and obtains displacement correction spectrum.
Final spectrum configuration part 344, sets above-mentioned displacement correction spectrum as final spectrum.
Output section 345 exports final spectrum.
Control unit 346 includes the calculation procedure of the above-mentioned various pieces operation of control spectral manipulation device 330.
Spectrum compare decision maker 350 include receiving division 351, search instruction configuration part 352, standard spectrum receiving division 353,
Compare determination unit 354 and output section 355.
Receiving division 351 receives the information such as final spectrum and corresponding nomenclature of drug from spectral manipulation device 330.
Search instruction configuration part 352 sets search instruction as the search in standard pharmaceutical library of spectra 110 and final spectrum
The consistent standard pharmaceutical spectrum of nomenclature of drug.
Standard spectrum receiving division 353 receives the standard pharmaceutical spectrum obtained according to above-mentioned search instruction.
Final spectrum is compared with standard pharmaceutical spectrum in contrast judgement portion 354, obtains identification result.
Output section 355 exports the result of identification to specific user.
Control device 360 includes the calculation procedure for controlling above-mentioned each device operation.
Figure 10 is the action flow chart of the authenticity of medicament decision-making system in embodiment according to the present invention.
As shown in Figure 10, in the present embodiment, the motion flow of authenticity of medicament decision-making system 300 comprises the following steps：
Step S1, receives the medicine spectrum from spectra collection system 200, with the corresponding medicine name of the medicine spectrum
Claim, harvester model, and calibration standard material title corresponding with the harvester model and corresponding correcting mark
Quasi- substance spectra；
Step S2, spectrum acquisition device 310 judge whether the total number of medicine spectrum meets the condition more than or equal to 3, when
Judging result, when judging result when being unsatisfactory for, to enter step S7, exports the knot of number deficiency when meeting, to enter step S3
Fruit, terminates；
Step S3, spectral quality detection device 320 are detected the quality of the medicine spectrum of reception, and by qualified medicine
Product spectrum is set as qualified spectrum；
Step S4, judges whether the total number of qualified spectrum meets the condition more than or equal to 3, judging result for when meeting,
Enter step S5, judging result when being unsatisfactory for, then to enter step S7, output number deficiency as a result, terminating；
Step S5, spectral manipulation device 330 receive harvester model, nomenclature of drug, qualified spectrum, calibration standard material
Title and calibration standard substance spectra, and qualified spectrum is carried out to correct after processing merging to obtain based on standard substance library of spectra
Final spectrum；
Final spectrum compared with standard pharmaceutical spectrum, it is true to be obtained medicine by step S6, spectrum comparison decision maker 350
Puppet judges result；
Step S7, exports accordingly result.
Figure 11 is the action flow chart of the spectral manipulation device in embodiment according to the present invention.
As shown in figure 11, in the present embodiment, the motion flow of spectral manipulation device 330 comprises the following steps：
Step S5-1, receiving division 331 receives at least three qualification spectrum of same medicine, corresponding with the qualification spectrum
Nomenclature of drug, harvester model, and calibration standard material title corresponding with the harvester model and corresponding
Calibration standard substance spectra is simultaneously stored in temporary storage part 332；
Step S5-2, average dark value current calculation unit 3331 is averaging from qualified spectrum after acquisition dark current value to be obtained
Average dark current value；
Step S5-3, dark current variance computing unit 3332 carry out variance calculating to the dark current value of qualified spectrum, obtain
Dark current variance yields；
Average dark current value and 5 times of dark current variance yields are carried out phase by step S5-4, preset range computing unit 3333
Plus-minus calculates, and obtains preset range；
Step S5-5, pixel bad point judging unit 3334 judge whether dark current value meets the condition in preset range, when
For judging result when meeting, to enter step S5-9, judging result is when being unsatisfactory for, to represent that the corresponding intensity level of the dark current value is
Pixel bad point, then enter step S5-6；
Step S5-6, the adjacent shift value acquiring unit 3335 of bad point obtain the corresponding shift value positioned at above-mentioned pixel bad point
Front and rear two shift value；
Step S5-7, it is corresponding that Repair strength value computing unit 3336 obtains above-mentioned two shift values being calculated
Two intensity levels, and two intensity levels are averaging to obtain Repair strength value；
Step S5-8, pixel bad point repair unit 3337 by the corresponding intensity level of pixel bad point, it is strong to replace with above-mentioned reparation
Angle value, obtains pixel bad point and repairs spectrum；
Step S5-9, background deduction processing unit 334 repair spectrum to pixel by predetermined background deduction method and carry out background button
Except processing, background deduction spectrum is obtained；
Step S5-10, smoothing processing portion 335 are smoothed background deduction spectrum by predetermined smoothing method and are put down
Sliding spectrum；
Step S5-11, spectrum similarity measure portion 336 are based on obtaining intensity level from smooth spectrum, calculate each smooth
The similarity of spectrum；
Step S5-12, qualification rate computing unit 3371 calculate similarity more than or equal to the smooth spectrum of predetermined threshold
Number accounts for the percentage of the total number of smooth spectrum, obtains qualification rate；
Step S5-13, qualification rate judging unit 3372 judge whether above-mentioned qualification rate meets predetermined qualification rate, when judgement is tied
Fruit, when judging result is to be unsatisfactory for, is terminated when meeting, to enter step S5-14；
Step S5-14, the smooth spectrum that spectrum merging portion 338 is greater than or equal to similarity predetermined threshold merge
To merging spectrum；
Step S5-15, search instruction setup unit 3391 are based on calibration standard material title, and setting search is corresponding predetermined
The instruction of standard substance spectrum is simultaneously sent to standard substance library of spectra；
Step S5-16, the reception standard substance of preassigned substance spectra receiving unit 3392 library of spectra 120 send pre-
Quasi- substance spectra is calibrated, and is stored into temporary storage part 332；
Step S5-17, local maximum acquisition unit 340 is according to predetermined acquisition methods, from the preassigned thing of temporary storage part 332
Standard local maximum is obtained in matter spectrum, and correction local maximum is obtained from calibration standard substance spectra；
Step S5-18, the acquisition of shift value acquiring unit 3411 of local maximum are corresponding with standard local maximum
Standard shift value, and obtain and the correction corresponding local displacement value of local maximum；
Above-mentioned standard shift value and correction shift value are subtracted each other, obtained in place by step S5-19, offset deviation computing unit 3412
Move deviation；
Step S5-20, displacement correction curve matching portion 342, using the numerical value of the standard shift value of above-mentioned acquisition as abscissa,
Offset deviation value obtained above is fitted by predetermined approximating method to obtain corresponding displacement correction curve；
Step S5-21,3431 shift value based on smooth spectrum of displacement correction value acquiring unit are bent from above-mentioned displacement correction
Corresponding displacement correction value is obtained in line；
Step S5-22, displacement correction computing unit 3432, by the above-mentioned displacement correction value of acquisition and corresponding above-mentioned displacement
Value is added, and obtains displacement correction spectrum.
Step S5-23, final spectrum configuration part 344, sets above-mentioned displacement correction spectrum as final spectrum；
Step S5-24, output section 345 export final spectrum.
The effect of embodiment：
Spectral manipulation device, method and the authenticity of medicament decision-making system being related to according to the present embodiment, due to spectral manipulation
There is device pixel bad point to judge processing unit, background deduction processing unit, smoothing processing portion, can be to the qualified spectrum progress to reception
The repair process of pixel bad point, background deduction processing unit and smoothing processing, improve the uniformity of collection result, therefore further
Improve the accuracy that authenticity of medicament judges result；
Merge again since spectral manipulation device further includes spectrum similarity measure portion, spectrum qualification rate judging part and spectrum
Portion, can merge processed spectrum to obtain merging spectrum, simplify the decision process of authenticity of medicament.
Further, since spectral manipulation device can also be from the calibration standard substance spectra of reception and from standard substance library of spectra
Preassigned substance spectra in, respectively to obtaining corresponding local maximum, thus obtain corresponding displacement correction curve, and
Using the displacement correction curve, displacement correction can be carried out to the qualified spectrum of reception, model, eliminated due between instrument again
Error caused by different or aging, therefore further increase the accuracy that authenticity of medicament judges result.
Spectral manipulation device, method and the authenticity of medicament decision-making system being related to according to the present embodiment, will also be to merging light
After spectrum carries out displacement correction, it is final spectrum to reset displacement correction spectrum, in practice, spectral manipulation dress of the present invention
Put, method and authenticity of medicament decision-making system need not directly be set to merging spectrum progress displacement correction and merge spectrum sometimes
For final spectrum.
The above embodiment is the preferred case of the present invention, is not intended to limit protection scope of the present invention.
Claims (10)
1. a kind of spectral manipulation device, handles the qualified spectrum from spectral quality detection device, it is characterised in that bag
Include：
Receiving division, receives the qualified spectrum of multiple same medicines；
Pixel bad point judges processing unit, judges that the qualified spectrum whether there is pixel bad point, when there are during the pixel bad point,
Pixel reparation spectrum is obtained to carrying out pixel bad point repair process there are the qualified spectrum of the pixel bad point；
Background deduction processing unit, repairs the pixel according to predetermined subtraction method spectrum or judges the pixel bad point is not present
The qualified spectrum carry out background deduction and handle to obtain background deduction spectrum；
Smoothing processing portion, is smoothed to obtain smooth spectrum according to predetermined smoothing method to the background deduction spectrum；
Spectrum similarity measure portion, calculates the similarity of the smooth spectrum；
Spectrum qualification rate judging part, judges that the qualification rate that the similarity is greater than or equal to the smooth spectrum of predetermined threshold is
It is no to meet predetermined qualification rate；
Spectrum merging portion, when the qualification rate meets predetermined qualification rate, by predetermined merging method, the similarity is more than or
Smooth spectrum equal to predetermined threshold merges to obtain merging spectrum；
Final spectrum configuration part, sets the merging spectrum as final spectrum.
2. spectral manipulation device according to claim 1, corresponding not with predetermined harvester model based on being stored with
With the standard substance library of spectra of the preassigned substance spectra of standard substance, to the qualified spectrum from spectral quality detection device
It is modified processing, it is characterised in that including：
Receiving division, receives the qualified spectrum of multiple same medicines；
Pixel bad point judges processing unit, judges that the qualified spectrum whether there is pixel bad point, when there are during the pixel bad point,
Pixel reparation spectrum is obtained to carrying out pixel bad point repair process there are the qualified spectrum of the pixel bad point；
Background deduction processing unit, repairs the pixel according to predetermined subtraction method spectrum or judges the pixel bad point is not present
The qualified spectrum carry out background deduction and handle to obtain background deduction spectrum；
Smoothing processing portion, is smoothed to obtain smooth spectrum according to predetermined smoothing method to the background deduction spectrum；
Spectrum similarity measure portion, calculates the similarity of the smooth spectrum；
Spectrum qualification rate judging part, judges that the qualification rate that the similarity is greater than or equal to the smooth spectrum of predetermined threshold is
It is no to meet predetermined qualification rate；
Spectrum merging portion, when the qualification rate meets predetermined qualification rate, by predetermined merging method, the similarity is more than or
Smooth spectrum equal to predetermined threshold merges to obtain merging spectrum；
Acquisition unit is searched for, based on the calibration standard material title, searches for and obtains corresponding from the standard substance library of spectra
Preassigned substance spectra；
Local maximum acquisition unit, according to predetermined acquisition methods, obtains and the corresponding standard of preassigned substance spectra
Local maximum, and obtain and the corresponding correction local maximum of the calibration standard substance spectra；
Offset deviation value calculating part, obtains corresponding with the standard local maximum from the preassigned substance spectra
Standard shift value, and obtained and the correction corresponding correction displacement of local maximum from the calibration standard substance spectra
Value, the standard shift value and the correction shift value are subtracted each other, obtain offset deviation value；
Displacement correction curve matching portion, using the numerical value of the standard shift value as abscissa, by predetermined approximating method to institute's rheme
Move deviation to be fitted to obtain corresponding displacement correction curve, the ordinate of the displacement correction curve is known as displacement correction value；
Displacement correction portion, based on the displacement correction curve, carries out shift value corrected Calculation to the merging spectrum and obtains displacement
Correct spectrum；
Final spectrum configuration part, sets the displacement correction spectrum as final spectrum.
3. spectral manipulation device according to claim 1 or 2, it is characterised in that：
Wherein, the pixel bad point judges that processing unit includes：
Average dark current value computing unit, is averaging after acquisition dark current value from the qualified spectrum and obtains average dark current
Value；
Dark current variance computing unit, carries out variance calculating to the dark current value, obtains dark current variance yields.
Preset range computing unit, is subtracted each other and is added meter by the average dark current value with 2-8 times of dark current variance yields
Calculate, obtain preset range；
Pixel bad point judging unit, judges whether the dark current value of the qualified spectrum meets the condition in preset range；
The adjacent shift value acquiring unit of bad point, obtains and is located at not in the corresponding shift value of the dark current value of the preset range
The adjacent shift value of front and rear two；
Repair strength value computing unit, obtains the corresponding intensity level of described two adjacent shift values respectively and averaging obtains
Repair strength value；
Pixel bad point repairs unit, not in the corresponding intensity level of dark current value of the preset range, will be replaced with described
The Repair strength value, obtains the pixel bad point and repairs spectrum.
4. spectral manipulation device according to claim 1 or 2, it is characterised in that：
Wherein, the predetermined subtraction method is adaptive iteration penalized least-squares method.
5. spectral manipulation device according to claim 1 or 2, it is characterised in that：
Wherein, the predetermined smoothing method is Whittaker penalized least-squares methods.
6. spectral manipulation device according to claim 1 or 2, it is characterised in that：
Wherein, the predetermined qualification rate accounts for described flat for the similarity more than or equal to the number of the smooth spectrum of predetermined threshold
The percentage of the total number of sliding spectrum is more than or equal to 50%.
7. spectral manipulation device according to claim 1 or 2, it is characterised in that：
Wherein, the predetermined threshold is 0.90-0.99.
8. spectral manipulation device according to claim 1 or 2, it is characterised in that：
Wherein, the predetermined merging method comprises the following steps：
Step 1, it is greater than or equal to from all similarities in the smooth spectrum of predetermined threshold and obtains and same shift value respectively
Corresponding intensity level；
Step 2, the intensity level obtained in step 1 is averaging, obtains average intensity value；
Step 3, using the shift value in step 1 as abscissa, using the average intensity value as ordinate, the merging is obtained
Spectrum.
9. a kind of authenticity of medicament decision-making system, with spectra collection system and containing standard substance library of spectra and standard pharmaceutical spectrum
The library storage system in storehouse is connected, for judging the true and false of medicine, it is characterised in that including：
Spectrum acquisition device, receives the medicine spectrum from spectra collection system and sends the medicine light more than predetermined number
Spectrum；
Spectral quality detection device, receives medicine the spectrum more than predetermined number, and quality inspection is carried out to the medicine spectrum
Survey, and the qualified medicine spectrum is determined as qualified spectrum；
Spectral manipulation device, based on the standard substance library of spectra, is modified processing, and will complete to repair to the qualified spectrum
The qualified spectrum just handled is set as final spectrum；
Spectrum compares decision maker, and based on the standard pharmaceutical library of spectra, the judgement of the true and false is carried out to the final spectrum,
Wherein, the spectral manipulation device is the spectral manipulation device described in any one in claim 1 to 8.
10. a kind of spectral manipulation method, handles the qualified spectrum from spectral quality detection device, it is characterised in that
Comprise the following steps：
Receive the qualified spectrum of multiple same medicines；
Judge that the qualified spectrum whether there is pixel bad point, when there are during the pixel bad point, to there are the pixel bad point
The qualified spectrum carry out pixel bad point repair process and obtain pixel repairing spectrum；
Spectrum is repaired to the pixel according to predetermined subtraction method or judges the qualified spectrum of the pixel bad point is not present
Background deduction is carried out to handle to obtain background deduction spectrum；
The background deduction spectrum is smoothed to obtain smooth spectrum according to predetermined smoothing method；
Calculate the similarity of the smooth spectrum；
Judge whether the similarity meets predetermined qualification rate more than or equal to the qualification rate of the smooth spectrum of predetermined threshold；
When the qualification rate meets predetermined qualification rate, by predetermined merging method, the similarity is greater than or equal to predetermined threshold
The smooth spectrum of value, which merges to obtain, merges spectrum；
The merging spectrum is set as final spectrum.
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