CN106895918A - Wavelength equation parameter population and most the spectrometer wavelength bearing calibration of value optimizing - Google Patents

Abstract

The present invention discloses the spectrometer wavelength bearing calibration of a kind of wavelength equation parameter population and most value optimizing, the bearing calibration is to determine mechanical position tolerances wavelength calibration equation parameter using population optimizing, most value optimizing determines adjusting parameter, and realizes that spectrometer wavelength is corrected with hardware adjustment, software correction.Wavelength equation based on mechanical position tolerances, equation parameter, adjusting rod method long and amendment wavelength compensation value are determined with two kinds of optimizing algorithms, and the scanning wavelength error to grating sine sweep type monochromator or spectrometer has carried out effective correction.Solve the problems, such as that the length scanning error that monochromator raster scan mechanism is caused due to light zero position error and roller steering error is big, instrument wavelength accuracy cannot be met, solving wavelength equation parameter cannot Solve problems.The method software and hardware is combined, it is easy to operate, and calculating treatment is carried out without the spectroscopic data to each instrument after correction, it is adaptable to wavelength amendment when monochromator or the spectrometer examination and test of products are debugged.

Description

Wavelength equation parameter population and most the spectrometer wavelength bearing calibration of value optimizing

Technical field

The software and hardware of scanning wavelength error is caused to be combined school the present invention relates to a kind of spectrometer scanning mechanical position tolerances Correction method, more particularly, to the bearing calibration of the monochromator or spectrometer wavelength error of grating sine sweep type.

Background technology

The length scanning of raster scan type spectrometer uses sine transmission mechanism, with the rotation of driving stepper motor leading screw, spiral shell Mother is mobile, and nut is oriented to and promotes roller, band driven fork to swing, and rotates plane grating, and output wavelength is linear with motor corner The monochromatic light of relation.

There is light zero position error and swing rod roller steering error in assembling process in this raster scan mechanism.

Light zero position refers to the position that spectrometer exports zero order light.Now plane grating normal and beam splitting system incident ray Bisector of angle (hereinafter referred to as light splitting bisector) with diffracted ray overlaps, and the swing rod central axis interlocked with grating are in silk Thick stick axis；Meanwhile, the guiding (i.e. moving direction) of swing rod roller should perpendicular to leading screw axis or parallel to light zero when swing rod in Heart line, so as to ensure that the wavelength of spectrometer scanning is linear with the corner of stepper motor.When spectrometer has light zero position Error or (and) swing rod roller steering error when, i.e. the grating normal of light zero position and misaligned (the two angle of light splitting bisector Referred to as light zero position error angle), or (and) the moving direction out of plumb of swing rod roller and leading screw axis (and the guiding of swing rod roller with The angle of leading screw axis vertical direction is referred to as roller steering error angle), wavelength and the stepper motor corner of spectrometer output into Linear relationship cannot ensure, spectrometer output wavelength off-design value (the linear pass of corner of Wavelength design value and stepper motor System), influence the accuracy of spectrometer wavelength.

Bearing calibration for raster scan type monochromator light zero position error and roller steering error has not yet to see phase The report of pass.Generally using the method with standard wave length's fitting of a polynomial, the precision of calibration takes for the calibration of spectrometer output wavelength Certainly in the quantity of standard wave length, and this method needs to carry out wavelength calibration calculating to the spectroscopic data of each instrument, not Have from the root-cause analysis for producing wavelength error and set about solving the problem.《Optical instrument》1980(1):In 29-32+46《Grating list The error analysis of color instrument spectral scanning mechanisms》Error in one text to grating monochromator spectral scan sine mechanism has carried out theory Analysis, but do not propose the bearing calibration of error.

CN106500839A is based on the mechanical position tolerances equation of the grating sine sweep type monochromator set up, and proposes a kind of Using the characteristic wavelength and corresponding spectrometer scanning wavelength of standard sources carry out equation variable element simultaneous solution, emulation optimizing it is true Fixed optimal regulated quantity and compensation rate, the method that correction is implemented by hardware adjustments, software correction.But this method joins in equation During vertical parametric solution, due to the limitation of spectrometer wavelength scanning accuracy, there is the situation without solution, so as to cause the wavelength calibration Method cannot be implemented.For this problem the present invention with spectrometer to the corresponding output wavelength of standard sources characteristic wavelength as condition, Based on the wavelength calibration equation of grating sine sweep mechanism mechanical position tolerances, propose to be calculated using population and most two kinds of optimizing of value Method determines wavelength calibration equation parameter and regulation and compensating parameter, to reduce wavelength error, meets wanting for spectrometer wavelength precision Ask.

The content of the invention

The purpose of the present invention is that for above-mentioned the deficiencies in the prior art, there is provided one kind is based on mechanical position tolerances wavelength The optimizing of correction equation parametric solution, the soft wavelength calibration method repaiied of vigour, thus solve the raster scan mechanism of monochromator due to Length scanning error that light zero position error and roller steering error cause is big, cannot meet the problem of instrument wavelength accuracy, carries The accuracy of instrument wavelength high.

The present invention adopts the following technical scheme that realization：

The present invention is based on when raster scan type spectrometer sweep mechanism has light zero position error and roller steering error, According to grating equation, the machine driving relation of sweep mechanism, spectrometer scanning wavelength λ is set up₀With instrument parameter (see Fig. 1), reality Relational expression between the wavelength X of border：

This formula is the wavelength calibration equation (hereinafter referred to as wavelength equation) of grating sine sweep mechanism mechanical position tolerances.Formula In：λ is actual wavelength, i.e. standard wave length；λ₀It is the corresponding spectrometer scanning wavelength of standard wave length, the i.e. theoretical wavelength of spectrometer Or design wavelength.Contain 6 parameters in wavelength equation：

α is grating angle parameter：

A=2d cos α (2)

Wherein：α is the angle actual value of grating incident angle and emergent ray, and d is grating pitch.

γ=β-θ, wherein：β is light zero position error angle, and θ is roller steering error angle；

K is beam splitting system mechanical position tolerances coefficient：

Wherein：α₀It is grating incident angle and the angle theoretical value of emergent ray, L₀It is swing rod theoretical length, θ is oriented to for roller Error angle, i.e. angle of the swing rod roller spigot surface with respect to leading screw axis vertical direction；

The physical length of swing rod when L is system debug original state；

N is bar regulation ratio long,Wherein：Δ_LIt is swing rod adjustment length, L is the pendulum under system initial state Pole length；

C is the wavelength compensation value of light zero.

Method proposed by the present invention is to determine mechanical position tolerances wavelength equation parameter using population optimizing, is most worth optimizing Determine adjusting parameter, and realize that spectrometer wavelength is corrected with hardware adjustment, software correction, step is as follows：

The method of standard spectrum collection, equation parameter optimizing, hardware adjustment and software correction is comprised the following steps：

A, acquisition standard wave length：Mi standard wave length λ is obtained using standard sources or standard sample_ti, ti=1,2 ... ..., mi；Mi is not less than 2, and noting the selection of standard wave length will match with the wavelength accuracy of instrument and scope；

B, standard spectrum collection：Experiment porch is built, spectrometer primary source is replaced with standard sources, carry out standard sources Spectral scan；Or spectral scan is directly carried out to standard sample with spectrometer, obtain standard spectrum gathered data；

C, data processing：The peak of the spectral scan data of extraction standard light source or standard sample, obtains scanning number According to the corresponding mi output wave long value λ of Plays wavelength_0ti；

D, selection calculate wavelength pair：In mi to standard wave length λ_tiWith corresponding output wave long value λ_0tiMiddle selection m is to as side Journey parameter calculates wavelength to [λ_t, λ_0t], t=1,2 ... ..., m；m≤mi；

E, population parameter optimization：With spectrometer when front bar is long than n=1, instrument is determined using population parameter optimization algorithm Other five parameters a, k, L, γ, c in device current wavelength equation；

F, equation parameter verification：It is proper that the five wavelength equation parameters and n=1 that population optimizing is determined substitute into formula (1) Preceding instrument wavelength equation, substitutes into the mi standard wave length λ that step A is obtained respectively_tiIt is calculated corresponding spectrometer output wave Calculated value λ ' long_0ti, by each λ '_0tiThe corresponding output wave long value λ obtained with step C_0tiContrast, if the two difference is satisfied by spectrum Instrument required precision, then go to step G；Otherwise return to step D, reselects equation parameter and calculates wavelength；

G, error assessment：According to the current instrument wavelength equation that step F is obtained, in monochromator or the wavelength of spectral instrument In the range of try to achieve instrument output wavelength error delta λ (Δ λ=| λ-λ₀|) maximum Δ λ_maxIf, Δ λ_maxNo more than instrument wavelength Precision index, then terminate；Adjusting parameter c and n are otherwise needed, step H is gone to；

H, most value optimizing determine adjustment amount：The value of five parameters a, k, L, γ that step E is obtained, c substitutes into wavelength equation Formula (1), with n, λ as independent variable, in the adjustable maximum L of instrument oscillating bar length_maxWith minimum value L_minIn the range of, n is taken in [L_max/ L, L_min/ L] in different value when, calculate in instrument wave-length coverage [λ_max, λ_min] output wavelength error delta λ maximum deviation Δλ_max(n) and average value Δ λ_meanN (), chooses all Δ λ_maxN the corresponding n values of minimum value in () are used as optimal bar ratio long n_op, corresponding Δ λ_mean(n_op) as wavelength correction value Δ λ_meanop；

I, adjusting rod are long：Regulation spectrometer scans oscillating bar length, and regulated quantity is：

Δ_L=(n_op-1)L (4)

J, the amendment wavelength compensation value of light zero：It is c that wavelength compensation value is corrected on instrument software：

c_(new)=c_(old)-Δλ_meanop (5)

K, return to step B

If repeatedly adjust can not still meet the requirement of instrument wavelength accuracy, a, k, L, γ etc. in wavelength equation are illustrated Parameter is unreasonable or λ data value errors are larger, it is considered to redesign or adjust the value of data.

Population parameter optimization method described in step E, comprises the following steps：

A, definition Fe coatings and optimizing are interval：Five dimensions with five parameters a, k, L, γ, c in wavelength equation as particle Space, particle position be P (a, k, L, γ, c), structure and design load according to spectrometer be calculated or determined a in wavelength equation, k, Five theoretical values of parameter of L, γ, c, ± 10% or actual variable range as population optimizing algorithm optimizing interval W, area Between length be respectively Δ a, Δ k, Δ L, Δ γ, Δ c；

B, definition fitness function f：

In formula：λ_tAnd λ_0tRespectively equation parameter calculate wavelength centering standard wave length and output wavelength, t=1, 2 ... ..., m；

C, determine initial value：Random value constitutes an original position P in each parameter optimization is interval every time₁(i)= [a_i, k_i, L_i, γ_i, c_i], carry out z times altogether, define z original position, i=1,2 ... ..., z；One is defined to each position to rise Beginning speed V₁(i)=[Δ a, Δ k, Δ L, Δ γ, Δ c]/b, b>1；The z original position P that will be defined₁Corresponding data are substituted into In fitness function formula (6), z f is obtained₁I (), chooses wherein minimum value f_1minCorresponding position is used as initial global optimum position P_op (1)；S₁(i)=P₁I () is i-th initial individuals optimum position of particle, set iteration stopping number of times, iteration stopping threshold value and Convergence threshold, iterations j=1；

D, renewal speed and position：It is inertia weight coefficient w to define a nonnegative number, with reference to optimum position P_op(j) and S_j I (), optimizes to obtain new position speed V to each particle rapidity_j+1(i)：

V_j+1(i)=wV_j(i)+c₁r₁(S_j(i)-P_j(i))+c₂r₂(P_op(j)-P_j(i)) (7)

Wherein：c₁、c₂It is Studying factors, is nonnegative number；r₁、r₂It is the random number being distributed between [0,1],

The position for updating each particle is P_j+1(i)：

P_j+1(i)=P_j(i)+V_j(i) (8)

Judge P_j+1(i) each new position each element whether in the W of optimizing interval, if P_j+1I certain element of () is not in W It is interior, then the value of a upper position is kept with the element value；If continuing if；

By each new position P_j+1I () substitutes into the corresponding fitness f of fitness function formula (6) z new position of acquisition_j+1(i), with The fitness value f of its previous global optimum position_jminContrast, takes minimum value f in z+1 fitness value_j+1minCorrespondence position As new global optimum position P_op(j+1)；

Determine the new individual optimum position S of each particle_j+1(i)：Take each particle current individual optimum position S_j(i) and New position P_j+1The fitness function f of (i)_sj(i) and f_j+1The corresponding position of minimum value of (i)；

E, judgement：If f_j+1minLess than iteration stopping threshold value and | f_j+1min-f_jmin| it is equal to repeatedly less than convergence threshold, or j+1 Generation number, then population parameter optimization terminates, P_op(j+1) five dimension element values are the optimizing value of wavelength equation parameter；Otherwise, j =j+1；Return to step d.

Beneficial effect：The present invention is the wavelength equation based on mechanical position tolerances, and equation is determined using two kinds of optimizing algorithms Parameter, adjusting rod method long and amendment wavelength compensation value, to grating sine sweep type monochromator or the scanning wavelength of spectrometer Error has carried out effective correction.The raster scan mechanism of monochromator is solved because light zero position error and roller steering error draw The length scanning error that rises is big, cannot meet the problem of instrument wavelength accuracy, the accuracy of instrument wavelength is improved, while solving The problem that wavelength equation parameter cannot be solved.The method software and hardware is combined, it is easy to operate, without to each instrument after correction Spectroscopic data carries out calculating treatment, it is adaptable to wavelength amendment when monochromator or the spectrometer examination and test of products are debugged.

Brief description of the drawings：

The light splitting sweep mechanism mechanical position tolerances schematic diagram of Fig. 1 gratings sine sweep type monochromator or spectrometer

The light splitting sweep mechanism structure chart 1- entrance slits 2- collimations of Fig. 2 gratings sine sweep type monochromator or spectrometer Mirror 3- focus lamp 4- exit slit 5- grating 6- axle 7- spring 8- swing rod 9- nut 10- leading screw 11- stage clips 12- is rolled Sub- 13- axles 14- bars regulating bolt 15- rollers guide pad 16- stepper motors 17- electric machine supports 18- shaft couplings 19- long Track base 20- line slideway 21- bearings and support 22- base plates

Fig. 3 grating sine sweep type spectrometer architecture block diagrams

The flow chart of Fig. 4 the inventive method

Fig. 5 population optimizing algorithm flow charts

Fig. 6 standard sources spectral measurement experiment porch block diagrams

Specific embodiment：

The present invention is described in further detail with reference to the accompanying drawings and examples.

The light splitting scanning transmission mechanism of grating sine sweep type monochromator or spectrometer is precision lead screw as illustrated in fig. 1 and 2 The sine mechanism of nut, swing link transmission.Entrance slit 1, collimating mirror 2, focus lamp 3, exit slit 4 are fixed on by connector On base plate 22, leading screw 10 is solid with screw by electric machine support 17, line slideway 20 by bearing and support 21, stepper motor 16 Due on base plate 22.The one end of swing rod 8 is fixed in the rotary shaft 6 of grating 5 in beam splitting system, and the other end connects roller by axle 13 12.Nut 9 on leading screw 10 is fixedly connected with track base 19, it is done straight line along line slideway 20 when leading screw 10 is rotated and transports It is dynamic.Spring 7 is fixed between base plate 22 and swing rod 8, the roller 12 on 8 is contacted with the roller guide pad 15 on nut 8.Monochromator Or spectrometer is connected by shaft coupling 18 using stepper motor 16 with leading screw 10, drive leading screw 10 to rotate, nut 9 is moved and band Dynamic roller 12 makes swing rod 8 rotate different angles with the grating 5 on moving axis 6.So that the complex light warp injected from entrance slit 1 Collimating mirror 2, grating 5, focus lamp 3, are projected with the monochromatic light of different wave length from exit slit 4, realize monochromator or spectrometer Light splitting.Stage clip 11, axle 13 and bar regulating bolt 14 long are arranged in the regulating tank on swing rod 8, are adjusted by bar regulating bolt 14 long Save the length of swing rod.

The present invention is based on when raster scan type spectrometer sweep mechanism has light zero position error and roller steering error, According to grating equation, the machine driving relation of sweep mechanism, spectrometer scanning wavelength λ is set up₀With instrument parameter (see Fig. 1), reality Relational expression between the wavelength X of border：

This formula is the wavelength calibration equation (hereinafter referred to as wavelength equation) of grating sine sweep mechanism mechanical position tolerances.Formula In：λ is actual wavelength, i.e. standard wave length；λ₀It is the corresponding spectrometer scanning wavelength of standard wave length, the i.e. theoretical wavelength of spectrometer Or design wavelength.Contain 6 parameters in wavelength equation：

α is grating angle parameter：

A=2d cos α (2)

Wherein：α is the angle actual value of grating incident angle and emergent ray, and d is grating pitch.

γ=β-θ, wherein：β is light zero position error angle, and θ is roller steering error angle；

K is beam splitting system mechanical position tolerances coefficient：

Wherein：α₀It is grating incident angle and the angle theoretical value of emergent ray, L₀It is swing rod theoretical length, θ is oriented to for roller Error angle, i.e. angle of the swing rod roller spigot surface with respect to leading screw axis vertical direction；

The physical length of swing rod when L is system debug original state；

N is bar regulation ratio long,Wherein：Δ_LIt is swing rod adjustment length, L is the pendulum under system initial state Pole length；

C is the wavelength compensation value of light zero.

Method proposed by the present invention determines mechanical position tolerances wavelength equation parameter using population optimizing, is most worth optimizing true Determine adjusting parameter, and realize that spectrometer wavelength is corrected with hardware adjustment, software correction, step is as follows：

The method of standard spectrum collection, equation parameter optimizing, hardware adjustment and software correction is comprised the following steps：

A, acquisition standard wave length：Mi standard wave length λ is obtained using standard sources or standard sample_ti, ti=1,2 ... ..., mi；Mi is not less than 2, and noting the selection of standard wave length will match with the wavelength accuracy of instrument and scope；

B, standard spectrum collection：Experiment porch is built, spectrometer primary source is replaced with standard sources, carry out standard sources Spectral scan；Or spectral scan is directly carried out to standard sample with spectrometer, obtain standard spectrum gathered data；

C, data processing：The peak of the spectral scan data of extraction standard light source or standard sample, obtains scanning number According to the corresponding mi output wave long value λ of Plays wavelength_0ti；

D, selection calculate wavelength pair：In mi to standard wave length λ_tiWith corresponding output wave long value λ_0tiMiddle selection m is to as side Journey parameter calculates wavelength to [λ_t, λ_0t], t=1,2 ... ..., m；m≤mi；

E, population parameter optimization：With spectrometer when front bar is long than n=1, instrument is determined using population parameter optimization algorithm Other five parameters a, k, L, γ, c in device current wavelength equation；

F, equation parameter verification：It is proper that the five wavelength equation parameters and n=1 that population optimizing is determined substitute into formula (1) Preceding instrument wavelength equation, substitutes into the mi standard wave length λ that step A is obtained respectively_tiIt is calculated corresponding spectrometer output wave Calculated value λ ' long_0ti, by each λ '_0tiThe corresponding output wave long value λ obtained with step C_0tiContrast, if the two difference is satisfied by spectrum Instrument required precision, then go to step G；Otherwise return to step D, reselects equation parameter and calculates wavelength；

G, error assessment：According to the current instrument wavelength equation that step F is obtained, in monochromator or the wavelength of spectral instrument In the range of try to achieve instrument output wavelength error delta λ (Δ λ=| λ-λ₀|) maximum Δ λ_maxIf, Δ λ_maxNo more than instrument wavelength Precision index, then terminate；Adjusting parameter c and n are otherwise needed, step H is gone to；

H, most value optimizing determine adjustment amount：The value of five parameters a, k, L, γ that step E is obtained, c substitutes into wavelength equation Formula (1), with n, λ as independent variable, in the adjustable maximum L of instrument oscillating bar length_maxWith minimum value L_minIn the range of, n is taken in [L_max/ L, L_min/ L] in different value when, calculate in instrument wave-length coverage [λ_max, λ_min] output wavelength error delta λ maximum deviation Δλ_max(n) and average value Δ λ_meanN (), chooses all Δ λ_maxN the corresponding n values of minimum value in () are used as optimal bar ratio long n_op, corresponding Δ λ_mean(n_op) as wavelength correction value Δ λ_meanop；

I, adjusting rod are long：Regulation spectrometer scans oscillating bar length, and regulated quantity is：

Δ_L=(n_op-1)L (4)

J, the amendment wavelength compensation value of light zero：It is c that wavelength compensation value is corrected on instrument software：

c_(new)=c_(old)-Δλ_meanop (5)

K, return to step B

If repeatedly adjust can not still meet the requirement of instrument wavelength accuracy, a, k, L, γ etc. in wavelength equation are illustrated Parameter is unreasonable or λ data value errors are larger, it is considered to redesign or adjust the value of data.

Population parameter optimization method described in step E, comprises the following steps：

A, definition Fe coatings and optimizing are interval：Five dimensions with five parameters a, k, L, γ, c in wavelength equation as particle Space, particle position be P (a, k, L, γ, c), structure and design load according to spectrometer be calculated or determined a in wavelength equation, k, Five theoretical values of parameter of L, γ, c, ± 10% or actual variable range as population optimizing algorithm optimizing interval W, area Between length be respectively Δ a, Δ k, Δ L, Δ γ, Δ c；

B, definition fitness function f：

In formula：λ_tAnd λ_0tRespectively equation parameter calculate wavelength centering standard wave length and output wavelength, t=1, 2 ... ..., m；

C, determine initial value：Random value constitutes an original position P in each parameter optimization is interval every time₁(i)= [a_i, k_i, L_i, γ_i, c_i], carry out z times altogether, define z original position, i=1,2 ... ..., z；One is defined to each position to rise Beginning speed V₁(i)=[Δ a, Δ k, Δ L, Δ γ, Δ c]/b, b>1；The z original position P that will be defined₁Corresponding data are substituted into In fitness function formula (6), z f is obtained₁I (), chooses wherein minimum value f_1minCorresponding position is used as initial global optimum position P_op (1)；S₁(i)=P₁I () is i-th initial individuals optimum position of particle, set iteration stopping number of times, iteration stopping threshold value and Convergence threshold, iterations j=1；

D, renewal speed and position：It is inertia weight coefficient w to define a nonnegative number, with reference to optimum position P_op(j) and S_j I (), optimizes to obtain new position speed V to each particle rapidity_j+1(i)：

V_j+1(i)=wV_j(i)+c₁r₁(S_j(i)-P_j(i))+c₂r₂(P_op(j)-P_j(i)) (7)

Wherein：c₁、c₂It is Studying factors, is nonnegative number；r₁、r₂It is the random number being distributed between [0,1], updates each The position of particle is P_j+1(i)：

P_j+1(i)=P_j(i)+V_j(i) (8)

Judge P_j+1(i) each new position each element whether in the W of optimizing interval, if P_j+1I certain element of () is not in W It is interior, then the value of a upper position is kept with the element value；If continuing if；

By each new position P_j+1I () substitutes into the corresponding fitness f of fitness function formula (6) z new position of acquisition_j+1(i), with The fitness value f of its previous global optimum position_jminContrast, takes minimum value f in z+1 fitness value_j+1minCorrespondence position As new global optimum position P_op(j+1)；

Determine the new individual optimum position S of each particle_j+1(i)：Take each particle current individual optimum position S_j(i) and New position P_j+1The fitness function f of (i)_sj(i) and f_j+1The corresponding position of minimum value of (i)；

E, judgement：If f_j+1minLess than iteration stopping threshold value and | f_j+1min-f_jmin| it is equal to repeatedly less than convergence threshold, or j+1 Generation number, then population parameter optimization terminates, P_op(j+1) five dimension element values are the optimizing value of wavelength equation parameter；Otherwise, j =j+1；Return to step d.

Embodiment 1：

Sine sweep type spectrometer mechanical position tolerances wavelength calibration.

Sine sweep type spectrometer architecture is as shown in figure 3, light source and modulator are fixed on beam splitting system (i.e. monochromator) Outside entrance slit, and light source and entrance slit are into object-image relation, detecting and controlling system respectively with beam splitting system, sensor assembly, And host computer connection, while the sampled device of beam splitting system is connected composition spectrometer with sensor assembly.The structure of beam splitting system As shown in Figure 1 using sine sweep mechanism.

The bearing calibration of the wavelength error caused for sine sweep type spectrometer light splitting sweep mechanism mechanical position tolerances Implementation process is as shown in figure 4, comprise the following steps：

A, determine standard wave length：Made with the characteristic wavelength of one or more standard samples with different known features wavelength It is standard wave length λ_ti(ti=1 ..., m+1), it is ensured that standard wave length's number m is no less than 1, and makes its covering spectrometer of trying one's best Spectral region, and note wavelength value selection to match with the wavelength accuracy of instrument.

B, standard spectrum collection：The scanning survey of absorbance spectrum is carried out to standard sample, standard spectrum collection number is obtained According to.

C, data processing：The peak of extraction standard sample spectral data, obtains spectroscopic data Plays wavelength correspondence The output wave long value λ no less than 2_0ti。

D, selection calculate wavelength pair：In m to standard wave length λ_tiWith corresponding output wave long value λ_0tiMiddle selection m is to as side Journey parameter calculates wavelength to [λ_t, λ_0t], t=1,2 ... ..., m；Wavelength is verified to [λ as equation parameter remaining a pair_c, λ_0c]。

E, population parameter optimization, implementation process as shown in figure 5, including：

A, definition Fe coatings and optimizing are interval：5 dimensions with 5 parameters a, k, L, γ, c in wavelength equation as particle are empty Between, particle position be P (a, k, L, γ, c).Structure and design load according to spectrometer be calculated or determined a in wavelength equation, k, L, Five theoretical values of parameter of γ, c, its theoretical value ± 10% or actual variable range as population optimizing algorithm optimizing Interval W, siding-to-siding block length is respectively Δ a, Δ k, Δ L, Δ γ, Δ c.

B, definition fitness function f：

In formula：λ_tAnd λ_0tRespectively equation parameter calculate wavelength centering standard wave length and output wavelength, t=1, 2 ... ..., m.

C, determine initial value：Random value constitutes an original position P in each parameter optimization is interval every time₁(i)= (a_i, k_i, L_i, γ_i, c_i), carry out z times altogether, define z original position, i=1,2 ... ..., z.One is defined to each position to rise Beginning speed V₁(i)=(Δ a, Δ k, Δ L, Δ γ, Δ c)/b (b>1).The z original position P that will be defined₁Corresponding data are substituted into In fitness function formula 4, z f is obtained₁I (), chooses wherein minimum value f_1minCorresponding position turns into initial overall situation optimum position P_op (1)；S₁(i)=P₁I () is i-th initial individuals optimum position of particle.Set iteration stopping number of times, iteration stopping threshold value and Convergence threshold, iterations j=1.

D, renewal speed and position：It is inertia weight coefficient w to define a nonnegative number, with reference to optimum position P_op(j) and S_j I (), optimizes to obtain new position speed V to each particle rapidity_j+1(i)：

V_j+1(i)=wV_j(i)+c₁r₁(S_j(i)-P_j(i))+c₂r₂(P_op(j)-P_j(i)) (5)

Wherein：c₁、c₂It is Studying factors, is nonnegative number；r₁、r₂It is the random number being distributed between [0,1].

The position for updating each particle is P_j+1(i)：

P_j+1(i)=P_j(i)+V_jI () (6) judge P_j+1(i) each new position each element whether in the W of optimizing interval, If P_j+1I certain element of () then keeps the value of a upper position not in W with the element value；If continuing if.

By each new position P_j+1I () substitutes into the corresponding fitness f of fitness function formula (4) z new position of acquisition_j+1(i), with The fitness value f of its previous global optimum position_jminContrast, takes minimum value f in z+1 fitness value_j+1minCorrespondence position As new global optimum position P_op(j+1)。

Determine the new individual optimum position S of each particle_j+1(i)：Take each particle current individual optimum position S_j(i) and New position P_j+1The fitness function f of (i)_sj(i) and f_j+1The corresponding position of minimum value of (i).

E, judgement：If f_j+1minLess than iteration stopping threshold value and | f_j+1min-f_jmin| it is equal to repeatedly less than convergence threshold, or j+1 Generation number, population parameter optimization terminates, P_op(j+1) 5 dimension element values are the optimizing value of wavelength equation parameter, go to step F.It is no Then, j=j+1；Return to step d.

F, equation parameter verification：5 wavelength equation parameters, n=1 and the equation parameter verification ripple that population optimizing is determined λ long_cSubstitution formula (1) calculates the corresponding spectrometer output wavelength calculated value λ ' of verification wavelength_0c.Will be with verification wavelength X_cIt is corresponding Output wavelength λ_0cWith λ '_0cContrast, if the two difference meets spectrometer required precision, goes to step 7；Otherwise return to step D, again Selection equation parameter calculates wavelength.

G, error assessment：The parameter that step E optimizing is determined substitutes into equation (1), in monochromator or the wavelength of spectral instrument In the range of try to achieve instrument output wavelength error delta λ (Δ λ=| λ-λ₀|) maximum Δ λ_max.If by Δ λ_maxNo more than instrument ripple Precision index long, then terminate；Adjusting parameter c and n are otherwise needed, step H is gone to.

H, most it is worth and excellent seeks determination adjustment amount：The value of 5 parameters a, k, L, γ that step E is obtained, c substitutes into wavelength equation (1), with n, λ as independent variable, n is calculated in the adjustable maximum L of instrument oscillating bar length_maxWith minimum value L_minIn the range of take [L_max/ L, L_min/ L] different value when, [the λ in instrument wave-length coverage_max, λ_min] instrument output wavelength error delta λ maximum deviation Δ λ_max(n) and average value Δ λ_mean(n).Choose all Δ λ_maxN the corresponding n values of minimum value in () compare n as optimal bar is long_op, Corresponding Δ λ_mean(n_op) value is used as wavelength correction value Δ λ_meanop。

I, adjusting rod are long：Regulation spectrometer scans oscillating bar length, and regulated quantity is：

Δ_L=(n_op-1)L (7)

J, amendment wavelength compensation value：It is c that wavelength compensation value is corrected on instrument software：

c_(new)=c_(old)-Δλ_meanop (8)

K, return to step B.

If repeatedly adjust can not still meet the requirement of instrument wavelength accuracy, a, k, L, γ etc. in wavelength equation are illustrated Parameter is unreasonable or λ data value errors are larger, it is considered to redesign or adjust the value of data.

Embodiment 2：

Sine sweep type monochromator mechanical position tolerances are corrected.

Build spectral scan measurement experiment platform as shown in fig. 6, including standard sources, spectral scan control measuring system and Host computer is constituted.Standard sources can provide corresponding standard in the spectral region of monochromator using laser, mercury lamp etc. Wavelength, is fixed at the entrance slit of monochromator or spectrometer beam splitting system, its incident ray is full of monochromator or light The collimating mirror of spectrometer beam splitting system.Spectral scan control measuring system be located at monochromator exit slit at, control stepper motor with Certain angle is spaced continuous rotational angle, monochromator is exported the optical signal of the different wave length of certain wavelength interval and scope； Data signal is converted the signal into simultaneously, host computer is transmitted to by data-interface；So as to obtain the spectrum of a wavelength range Data.Host computer obtains spectroscopic data and carries out data processing using PC by software.It is flat using spectral scan measurement experiment The bearing calibration implementation process that platform carries out the wavelength error that monochromator sweep mechanism mechanical position tolerances cause is shown in Fig. 4, including：

A, determine standard wave length：With the characteristic wavelength of one or more standard sources composed with different known features and its It is senior to compose corresponding wavelength as standard wave length λ_t(t=1 ..., m+1), it is ensured that standard wave length's number m is no less than 1, and makes The spectral region of its covering monochromator of trying one's best, and notice that the selection of standard wave length's value will match with the wavelength accuracy of instrument.

B, standard spectrum collection：Standard sources is opened, if now the bar of raster scan mechanism swing rod is long than being 1.Enter rower The scanning survey of quasi- light source light spectrum, obtains the gathered data of standard spectrum.

C, data processing：The peak of extraction standard light source light spectrum data, obtains spectroscopic data Plays wavelength correspondence The output wave long value λ no less than 1_0t。

D, selection calculate wavelength pair：In m to standard wave length λ_tiWith corresponding output wave long value λ_0tiMiddle selection m is to as side Journey parameter calculates wavelength to [λ_t, λ_0t], t=1,2 ... ..., m.

E, population parameter optimization, flow are as shown in figure 5, comprise the following steps：

A, definition Fe coatings and optimizing are interval：5 dimensions with 5 parameters a, k, L, γ, c in wavelength equation as particle are empty Between, particle position be P (a, k, L, γ, c).Structure and design load according to spectrometer be calculated or determined a in wavelength equation, k, L, Five theoretical values of parameter of γ, c, its theoretical value ± 10% or actual variable range as population optimizing algorithm optimizing Interval W, siding-to-siding block length is respectively Δ a, Δ k, Δ L, Δ γ, Δ c.

B, definition fitness function f：

In formula：λ_tAnd λ_0tRespectively equation parameter calculate wavelength centering standard wave length and output wavelength, t=1, 2 ... ..., m.

C, determine initial value：Random value constitutes an original position P in each parameter optimization is interval every time₁(i)= (a_i, k_i, L_i, γ_i, c_i), carry out z times altogether, define z original position, i=1,2 ... ..., z.One is defined to each position to rise Beginning speed V₁(i)=(Δ a, Δ k, Δ L, Δ γ, Δ c)/b (b>1).The z original position P that will be defined₁Corresponding data are substituted into In fitness function formula 4, z f is obtained₁I (), chooses wherein minimum value f_1minCorresponding position turns into initial overall situation optimum position P_op (1)；S₁(i)=P₁I () is i-th initial individuals optimum position of particle.Set iteration stopping number of times, iteration stopping threshold value and Convergence threshold, iterations j=1.

D, renewal speed and position：It is inertia weight coefficient w to define a nonnegative number, with reference to optimum position P_op(j) and S_j I (), optimizes to obtain new position speed V to each particle rapidity_j+1(i)：

V_j+1(i)=wV_j(i)+c₁r₁(S_j(i)-P_j(i))+c₂r₂(P_op(j)-P_j(i)) (5)

Wherein：c₁、c₂It is Studying factors, is nonnegative number；r₁、r₂It is the random number being distributed between [0,1].

The position for updating each particle is P_j+1(i)：

P_j+1(i)=P_j(i)+V_j(i) (6)

Judge P_j+1(i) each new position each element whether in the W of optimizing interval, if P_j+1I certain element of () is not in W It is interior, then the value of a upper position is kept with the element value；If continuing if.

By each new position P_j+1I () substitutes into the corresponding fitness f of the z new position of acquisition of fitness function formula 4_j+1(i), with it The fitness value f of previous global optimum position_jminContrast, takes minimum value f in z+1 fitness value_j+1minCorrespondence position make It is new global optimum position P_op(j+1)。

Determine the new individual optimum position S of each particle_j+1(i)：Take each particle current individual optimum position S_j(i) and New position P_j+1The fitness function f of (i)_sj(i) and f_j+1The corresponding position of minimum value of (i).

E, judgement：If f_j+1minLess than iteration stopping threshold value and | f_j+1min-f_jmin| it is equal to repeatedly less than convergence threshold, or j+1 Generation number, population parameter optimization terminates, P_op(j+1) 5 dimension element values are the optimizing value of wavelength equation parameter, go to step 6.It is no Then, j=j+1；Return to step d.

F, equation parameter verification：The parameter of step D optimizing determination, n=1 are substituted into equation (1) and obtains current instrument wavelength side Formula.M+1 standard wave length λ is substituted into respectively_tiCalculate corresponding spectrometer output wavelength calculated value λ '_0ti.By each λ '_0tiWith Output wave long value λ_0tiContrast, if the two difference is satisfied by spectrometer required precision, goes to step 7；Otherwise return to step 4, selects again Select equation parameter and calculate wavelength.

G, error assessment：According to the current instrument wavelength equation that step E is obtained, in monochromator or the wavelength of spectral instrument In the range of calculate instrument output wavelength error delta λ (Δ λ=| λ-λ₀|) maximum Δ λ_maxIf, Δ λ_maxNo more than instrument ripple Precision index long, then terminate；Adjusting parameter c and n are otherwise needed, step H is gone to.

H, most it is worth and excellent seeks determination adjustment amount：5 parameters a, k, L, γ that step D is obtained, the value of c substitute into formula (1), with n, λ is independent variable, calculates n in the adjustable maximum L of instrument oscillating bar length_maxWith minimum value L_minIn the range of take [L_max/ L, L_min/L] Different value when, [the λ in instrument wave-length coverage_max, λ_min] instrument output wavelength error delta λ maximum deviation Δ λ_max(n) and Average value Δ λ_mean(n).Choose all Δ λ_maxN the corresponding n values of minimum value in () compare n as optimal bar is long_op, corresponding Δ λ_mean(n_op) value is used as wavelength correction value Δ λ_meanop。

I, adjusting rod are long：Regulation spectrometer scans oscillating bar length, and regulated quantity is：

Δ L=(n_op-1)L (7)

J, amendment wavelength compensation value：It is c that wavelength compensation value is corrected on instrument software：

c_(new)=c_(old)-Δλ_meanop (8)

K, return to step B.

If repeatedly adjust can not still meet the requirement of instrument wavelength accuracy, a, k, L, γ etc. in wavelength equation are illustrated Parameter is unreasonable or λ data value errors are larger, it is considered to redesign or adjust the value of data.

Claims (3)

1. a kind of wavelength equation parameter population and most the spectrometer wavelength bearing calibration of value optimizing, it is characterised in that using mark The standard spectrum that quasi-optical source or standard sample are provided, gathers, equation parameter optimizing and vigour is soft repaiies process by standard spectrum The scanning wavelength error that correction spectrometer raster scan mechanism is caused by mechanical position tolerances is realized, the standard of spectrometer wavelength is improved True property；

The tuning wavelength equation of described mechanical position tolerances is：

${\mathrm{\λ}}_0=(\frac{\mathrm{\λ}}{a}cos\mathrm{\γ}+\sqrt{1-\frac{{\mathrm{\λ}}^2}{a^2}}sin\mathrm{\γ}-\frac{\sin \mathrm{\γ}}{n})nkL-c---\left(1\right)$

In formula：λ₀It is the corresponding spectrometer scanning wavelength of standard wave length, the i.e. theoretical wavelength or design wavelength of spectrometer；λ is actual Wavelength, i.e. standard wave length；Six parameters in the wavelength equation：

α is grating angle parameter：

A=2dcos α (2)

Wherein：α is the angle actual value of grating incident angle and emergent ray, and d is grating pitch.

γ=β-θ, wherein：β is light zero position error angle, and θ is roller steering error angle；

K is beam splitting system mechanical position tolerances coefficient：

$k=\frac{2d{\mathrm{cos\α}}_0}{L_{0}cos\mathrm{\θ}}---\left(3\right)$

Wherein：α₀It is grating incident angle and the angle theoretical value of emergent ray, L₀It is swing rod theoretical length, θ is roller steering error Angle, i.e. angle of the swing rod roller spigot surface with respect to leading screw axis vertical direction；

The physical length of swing rod when L is system debug original state；

N is bar regulation ratio long,Wherein：Δ_LIt is swing rod adjustment length, L is that the swing rod under system initial state is long Degree；

C is the wavelength compensation value of light zero.

2. the spectrometer wavelength bearing calibration of optimizing is worth according to the wavelength equation parameter population described in claim 1 and most, its It is characterised by, using standard spectrum collection, equation parameter optimizing, the method for hardware adjustment and software correction is comprised the following steps：

A, acquisition standard wave length：Mi standard wave length λ is obtained using standard sources or standard sample_ti, ti=1,2 ... ..., mi； Mi is not less than 2, and noting the selection of standard wave length will match with the wavelength accuracy of instrument and scope；

B, standard spectrum collection：Experiment porch is built, spectrometer primary source is replaced with standard sources, carry out the spectrum of standard sources Scanning；Or spectral scan is directly carried out to standard sample with spectrometer, obtain standard spectrum gathered data；

C, data processing：The peak of the spectral scan data of extraction standard light source or standard sample, in acquisition scan data The corresponding mi output wave long value λ of standard wave length_0ti；

D, selection calculate wavelength pair：In mi to standard wave length λ_tiWith corresponding output wave long value λ_0tiMiddle selection m as equation to joining Number calculates wavelength to [λ_t, λ_0t], t=1,2 ... ..., m；m≤mi；

E, population parameter optimization：With spectrometer when front bar is long than n=1, determine that instrument is worked as using population parameter optimization algorithm Other five parameters a, k, L, γ, c in prewave equation long；

F, equation parameter verification：The five wavelength equation parameters and n=1 that population optimizing is determined substitute into formula (1) and obtain current instrument Device wavelength equation, substitutes into the mi standard wave length λ that step A is obtained respectively_tiIt is calculated corresponding spectrometer output wavelength meter Calculation value λ '_0ti, by each λ '_0tiThe corresponding output wave long value λ obtained with step C_0tiContrast, if the two difference is satisfied by spectrometer essence Degree requirement, then go to step G；Otherwise return to step D, reselects equation parameter and calculates wavelength；

G, error assessment：According to the current instrument wavelength equation that step F is obtained, in monochromator or the wave-length coverage of spectral instrument Inside try to achieve instrument output wavelength error delta λ (Δ λ=| λ-λ₀|) maximum Δ λ_maxIf, Δ λ_maxNo more than instrument wavelength accuracy Index, then terminate；Adjusting parameter c and n are otherwise needed, step H is gone to；

H, most value optimizing determine adjustment amount：The value of five parameters a, k, L, γ that step E is obtained, c substitutes into wavelength equation (1), with n, λ as independent variable, in the adjustable maximum L of instrument oscillating bar length_maxWith minimum value L_minIn the range of, n is taken in [L_max/ L, L_min/ L] in different value when, calculate in instrument wave-length coverage [λ_max, λ_min] output wavelength error delta λ maximum deviation Δ λ_max(n) and average value Δ λ_meanN (), chooses all Δ λ_maxN the corresponding n values of minimum value in () compare n as optimal bar is long_op, Corresponding Δ λ_mean(n_op) as wavelength correction value Δ λ_meanop；

I, adjusting rod are long：Regulation spectrometer scans oscillating bar length, and regulated quantity is：

Δ_L=(n_op-1)L (4)

J, the amendment wavelength compensation value of light zero：It is c that wavelength compensation value is corrected on instrument software：

c_(new)=c_(old)-Δλ_meanop (5)

K, return to step B

If repeatedly adjust can not still meet the requirement of instrument wavelength accuracy, the parameter such as a, k, L, γ in wavelength equation is illustrated Unreasonable or λ data value errors are larger, it is considered to redesign or adjust the value of data.

3. the spectrometer wavelength bearing calibration of optimizing is worth according to the wavelength equation parameter population described in claim 2 and most, its It is characterised by that the population parameter optimization method described in step E is comprised the following steps：

A, definition Fe coatings and optimizing are interval：Five dimensions with five parameters a, k, L, γ, c in wavelength equation as particle are empty Between, particle position be P (a, k, L, γ, c), structure and design load according to spectrometer be calculated or determined a in wavelength equation, k, L, Five theoretical values of parameter of γ, c, ± 10% or actual variable range as population optimizing algorithm optimizing interval W, it is interval Length is respectively Δ a, Δ k, Δ L, Δ γ, Δ c；

B, definition fitness function f：

$f=\frac{1}{m}\underset{t=1}{\overset{m}{\mathrm{\Σ}}}|(\frac{{\mathrm{\λ}}_t}{a}\cos \mathrm{\γ}+\sqrt{1-\frac{{{\mathrm{\λ}}_t}^2}{a^2}}\sin \mathrm{\γ}-\frac{\sin \mathrm{\γ}}{n})kL+c-{\mathrm{\λ}}_{0t}|---\left(6\right)$

In formula：λ_tAnd λ_0tRespectively equation parameter calculates standard wave length and the output wavelength of wavelength centering, t=1,2 ... ..., m；

C, determine initial value：Random value constitutes an original position P in each parameter optimization is interval every time₁(i)=[a_i, k_i, L_i, γ_i, c_i], carry out z times altogether, define z original position, i=1,2 ... ..., z；A starting speed is defined to each position Degree V₁(i)=[Δ a, Δ k, Δ L, Δ γ, Δ c]/b, b>1；The z original position P that will be defined₁Corresponding data are substituted into and adapted to In functional expression (6), z f is obtained₁I (), chooses wherein minimum value f_1minCorresponding position is used as initial global optimum position P_op(1)； S₁(i)=P₁I () is i-th initial individuals optimum position of particle, set iteration stopping number of times, iteration stopping threshold value and convergence Threshold value, iterations j=1；

D, renewal speed and position：It is inertia weight coefficient w to define a nonnegative number, with reference to optimum position P_op(j) and S_j(i), New position speed V is optimized to obtain to each particle rapidity_j+1(i)：

V_j+1(i)=wV_j(i)+c₁r₁(S_j(i)-P_j(i))+c₂r₂(P_op(j)-P_j(i)) (7)

Wherein：c₁、c₂It is Studying factors, is nonnegative number；r₁、r₂It is the random number being distributed between [0,1],

The position for updating each particle is P_j+1(i)：

P_j+1(i)=P_j(i)+V_j(i) (8)

Judge P_j+1(i) each new position each element whether in the W of optimizing interval, if P_j+1Certain element of (i) not in W, then The value of a upper position is kept with the element value；If continuing if；

By each new position P_j+1I () substitutes into the corresponding fitness f of fitness function formula (6) z new position of acquisition_j+1(i), before it One fitness value f of global optimum position_jminContrast, takes minimum value f in z+1 fitness value_j+1minCorrespondence position conduct New global optimum position P_op(j+1)；

Determine the new individual optimum position S of each particle_j+1(i)：Take each particle current individual optimum position S_j(i) and new position P_j+1The fitness function f of (i)_sj(i) and f_j+1The corresponding position of minimum value of (i)；

E, judgement：If f_j+1minLess than iteration stopping threshold value and | f_j+1min-f_jmin| it is equal to iteration time less than convergence threshold, or j+1 Number, then population parameter optimization terminates, P_op(j+1) five dimension element values are the optimizing value of wavelength equation parameter；Otherwise, j=j+ 1；Return to step d.