CN105758826A - SPR (surface plasmon resonance) data acquisition and analysis method based on Labview control - Google Patents
SPR (surface plasmon resonance) data acquisition and analysis method based on Labview control Download PDFInfo
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Abstract
The invention discloses an SPR (surface plasmon resonance) data acquisition and analysis method based on Labview control.The SPR data acquisition and analysis method based on Labview control includes: controlling a servo motor to rotate by an upper computer instruction to change reflected light angles of a target so as to conduct coarse scanning according to a set angle scanning range, and automatically computing curve knees and resonance peak positions according to scanned data; automatically setting fine scanning positions and optimum fine scanning parameters according to the computed curve knees and resonance peak positions, and controlling the servo motor to rotate by a small angle within a curve characteristic interval to change the reflected light angles of the target; automatically computing SPR curve graph characteristics including resonance angles, resonance half-peak widths and resonance depths according to the scanned data; subjecting the curve knees, the resonance peak positions, the resonance angles, the resonance half-peak widths and the resonance depths to SPR curve fitting so as to obtain a complete SPR curve.
Description
Technical field
The present invention relates to the fields such as life sciences, material science and sensor, control SPR data acquisition analysis method in particular to one based on Labview.
Background technology
The resonance (SPR) in vitro such as surface is a kind of optical physics phenomenon, occurs mainly in metal medium and generic media double-decker, is interacted by the free electron of metal film surfaces and incident light wave and is produced.Light is incided optically thinner medium by optically denser medium, when angle of incidence is more than critical angle, can produce total reflection phenomenon.Incident light wave has individual P-polarization component (being called P ripple) in interface horizontal direction, if P ripple is identical with the frequency of oscillation of metal film surfaces plasma wave, two kinds of light-wave energies will be integrated, the reflecting light energy making certain incident angle or certain wavelength reduces suddenly, reflectance spectrum arises that resonance absorbing peak, and now incident angle of light or wavelength are called resonance angle or the resonant wavelength of SPR.
SPR resonance angle or resonant wavelength are relevant with the refractive index of metal film surfaces material, and when the refractive index (concentration) of these materials is different, the position of SPR formant would also vary from, and there is one-to-one relationship between the two., therefore can be judged concentration or the refractive index of metal film surfaces material by the position of SPR formant, thus reaching the purpose of Concentration Testing.
Traditional SPR detects the diverging light utilizing point source to send different angles, becoming a very narrow θ angle range (several years) with reflecting interface, thus limiting the use of instrument, and can only obtain the process of kinetic measurement, and data are more single.For comparatively open research system, the such as monitoring of chemical substance scene synthesis, SPR formant angle changes at about 20 °, it is impossible to meet scene synthesis monitoring and testing requirement.
Summary of the invention
The present invention provides a kind of and controls SPR data acquisition analysis method based on Labview, in order to overcome, prior art can only provide dynamic process and result, and to not being provided that whole SPR curve and automatically obtaining the problem of characteristic information in SPR curve, and whole SPR curvilinear characteristic information can solve many to be previously belonging to open research direction.
For reaching above-mentioned purpose, the invention provides a kind of based on Labview control SPR data acquisition analysis method, comprise the following steps:
According to set angle scanning scope, control servomotor large rotation angle by host computer instruction and the change of the reflection angular of object is carried out coarse scanning, and the data obtained according to scanning calculate flex point and resonant positions automatically；
Position and the parameter of close scanning are set automatically according to calculated flex point and resonant positions, control servomotor Small-angle Rotation by host computer instruction and the change of the reflection angular of object is carried out close scanning；
According to the data that close scanning obtains, automatically calculate SPR curve chart feature, including resonance angle, resonance half peak breadth and the resonance degree of depth；
Carry out SPR curve matching according to the flex point obtained, resonant positions, resonance angle, resonance half peak breadth and the resonance degree of depth, obtain complete SPR curve.
Further, the flow process that the data obtained carry out SPR curve matching includes:
According to calculated flex point and resonant positions, the SPR curve of wanted matching is divided into three sections；
For every section of curve, it is respectively adopted minimum absolute difference matching, least square fitting and Bisquare matching, wherein in the process of matching, by adjusting the parameters such as matching exponent number, tolerance and selecting SVD, Givens, Lu decomposition, Cholesky, Householder scheduling algorithm to judge least residual；
From three kinds of approximating methods, select optimal fitting, and obtain the fitting formula of SPR curve according to selected optimal modeling method and matching exponent number.
Further, when in test, background noise, systematic error etc. affect test result and cannot obtain flex point and resonant positions, accepting user by chart manually specifies flex point and resonant positions, and SPR curve is divided into three sections.
Further, in the process of scanning, shown the collection point information that coarse scanning and close scanning obtain in real time by chart.
Further, when being shown the collection point information that close scanning obtains in real time by chart, user's reviewing historical data is also accepted.
Further, said method is further comprising the steps of:
Read kinetic test angle, test kinetic curve.By injecting strength solution and the association reaction at interface from low to high, obtain the kinetic curve of real time reaction, the kinetic curve of variable concentrations can be drawn by kinetic curve, and shown the combining information of variable concentrations by chart in real time.
Accompanying drawing explanation
In order to be illustrated more clearly that the embodiment of the present invention or technical scheme of the prior art, the accompanying drawing used required in embodiment or description of the prior art will be briefly described below, apparently, accompanying drawing in the following describes is only some embodiments of the present invention, for those of ordinary skill in the art, under the premise not paying creative work, it is also possible to obtain other accompanying drawing according to these accompanying drawings.
Fig. 1 be one embodiment of the invention based on Labview control SPR data acquisition and analysis system structure chart；
Fig. 2 be one embodiment of the invention based on Labview control SPR data acquisition analysis method flow chart；
Fig. 3 is the flow chart that the data obtained carry out SPR curve matching of one embodiment of the invention；
Fig. 4 is the full SPR curve synoptic diagram of one embodiment of the invention；
Fig. 5 is the schematic diagram automatically calculating flex point and resonant positions of one embodiment of the invention；Fig. 6 is the schematic diagram to SPR curve automatic Fitting of one embodiment of the invention；
Fig. 7 is the matched curve schematic diagram that SPR curve matching is obtained of one embodiment of the invention；
Fig. 8 is the schematic diagram that SPR curve carries out manual matching of one embodiment of the invention；
Fig. 9 is the SPR curvilinear characteristic schematic diagram of one embodiment of the invention；
Figure 10 a is the angle of one embodiment of the invention and dynamic (dynamical) graph of a relation；
Figure 10 b is the kinetic test variable concentrations response schematic diagram of one embodiment of the invention；
Figure 11 is according to Figure 10 b kinetic curve, by concentration 10-12—10-4G/ml, the curve synoptic diagram of negative logarithm (-1og) and light intensity；
Figure 12 is the screenshot capture adopting minimum absolute residuals, svd algorithm, exponent number to be 5 matchings of one embodiment of the invention；
Figure 13 is the screenshot capture adopting minimum absolute residuals, svd algorithm, exponent number to be 4 matchings of one embodiment of the invention；
Figure 14 be one embodiment of the invention adopt double; two squares, svd algorithm, exponent number be the screenshot capture of 5 matchings.
Detailed description of the invention
Below in conjunction with the accompanying drawing in the embodiment of the present invention, the technical scheme in the embodiment of the present invention is clearly and completely described, it is clear that described embodiment is only a part of embodiment of the present invention, rather than whole embodiments.Based on the embodiment in the present invention, the every other embodiment that those of ordinary skill in the art obtain under not paying creative work premise, broadly fall into the scope of protection of the invention.
Fig. 1 be one embodiment of the invention based on Labview control SPR data acquisition and analysis system structure chart；As shown in the figure, this system includes host computer (this host computer operation present invention controls SPR data acquisition analysis method based on Labview), and two axle motor servo driver and the digital lock-in amplifiers being connected with host computer by RS485 bus, and the two axle servomotors, microsyringe and the chopper that are respectively connected with two axle motor servo drivers and digital lock-in amplifier.
Fig. 2 be one embodiment of the invention based on Labview control SPR data acquisition analysis method flow chart；Comprise the following steps as it can be seen, control SPR data acquisition analysis method based on Labview:
According to set angle scanning scope, control servomotor large rotation angle and the reflecting light of object is carried out coarse scanning, and according to scanning the automatic calculated curve flex point of data and resonant positions that obtain.Automatic calculated curve flex point mainly carries out SPR amplitude and calculates the position angle that searching minimax range value is corresponding with resonant positions, then curve is divided into three sections.Interval from starting point to maximum, calculated curve point tangent line value, ascend the throne knee of curve position in maximum place, from the minimum resonant positions of ascending the throne of peak to peak interval inner curve (or the minima position of direct calculated curve is also resonant positions)；
Position and the sweep parameter of close scanning are set automatically according to calculated knee of curve and resonant positions, controlling servomotor Small-angle Rotation and the reflecting light of object is carried out close scanning, wherein sweep parameter includes: 1. the Scanning step outside the step pitch of characteristic interval interscan and characteristic interval；2. the range size of characteristic interval, for instance: 32 °, coarse scan knee of curve position, resonant positions 40 °, carefully sweep parameter and include at knee of curve and formant Scanning step 0.02 °, the outer Scanning step 1 ° of characteristic interval, knee of curve carefully sweeps interval 31.5-32.5 °, and formant carefully sweeps scope 39-41 °；Result according to coarse scan automatically selects carefully sweeps parameter, it is achieved optimum mode of carefully sweeping, and not only can quickly scan and obtain whole section of SPR curve but also can obtain SPR curvilinear characteristic interval precision data point, improve the Fitting Calculation precision.
According to the data that close scanning obtains, automatically SPR curve chart feature is calculated, SPR curve chart feature includes resonance angle, resonance half peak breadth and the resonance degree of depth, wherein according to the SPR curve resonance point obtained and flex point, half-peak breadth is calculated as the width (as shown in Figure 9) of peak maximum and the peak, half place of minima, and the resonance degree of depth is the reflex strength of formant；
Carry out SPR curve matching according to the knee of curve obtained, resonant positions, resonance angle, resonance half peak breadth and the resonance degree of depth, obtain complete SPR curve.
Wherein, coarse scan is in the angular range arranged, with wide-angle (2 °) the whole angular range of Uniform Scanning.Carefully sweeping is the SPR curve obtained according to coarse scan, with only small angle (0.02 °) scanning in curvilinear characteristic segment, in the outer wide-angle scanning to arrange of characteristic interval.Carefully sweeping purpose is improve curve in the precision of SPR curvilinear characteristic point, more intends the Fitting Calculation of curve.
Wherein, in the process of scanning, it is also possible to shown that by chart coarse scanning and close scanning obtain collection point information in real time；And when being shown the collection point information that close scanning obtains in real time by chart, and SPR knee of curve after calculating and formant coordinate, and show in real time in the graph, it is also possible to accept user's reviewing historical data.
As in figure 2 it is shown, said method can also comprise the following steps:
Read kinetic test angle, test kinetic curve.By injecting strength solution and the association reaction at interface from low to high, obtain the kinetic curve of real time reaction, the kinetic curve of variable concentrations can be drawn by kinetic curve, and shown the combining information of variable concentrations by chart in real time.
Wherein, that carefully sweeps obtains SPR curve in knee of curve to formant interval, obtain maximum and the minima of light intensity, according to [(maximum-minima) * 20%+ minima] result of calculation value, find the angle corresponding to immediate value in SPR curve, be kinetic test angle.Kinetic test is angle to be fixed, and monitors reaction or the process of test by changing test solution medium and interfacial chemical reaction, monitoring detection process in real time.
Fig. 3 is the flow chart that the data obtained carry out SPR curve matching of one embodiment of the invention；Include as it can be seen, the data obtained to be carried out SPR curve matching:
According to calculated knee of curve and resonant positions, the SPR curve of wanted matching is divided into three sections；
For every section of curve, it is respectively adopted minimum absolute difference matching, least square fitting and Bisquare (double; two squares) matching, wherein in the process of matching, by adjusting the parameters such as matching exponent number, tolerance and selecting SVD (singular value decomposition), Givens (orthogonal transformation), Lu decomposition, Cholesky (Cholesky decomposition) scheduling algorithm to judge least residual；
Such as, adopt shown in schematic diagram such as Figure 12,13,14 of svd algorithm matching:
Figure 12 is the screenshot capture adopting minimum absolute residuals, svd algorithm, exponent number to be 5 matchings of one embodiment of the invention；Its fitting formula is:
Y=+18.132991E+6X+61.641120E+3X^2-1.134192E+3X^3+10.42041 E+0X^4-38.238668E-3X^5；
Figure 13 is the screenshot capture adopting minimum absolute residuals, svd algorithm, exponent number to be 4 matchings of one embodiment of the invention；Its fitting formula is:
Y=+1.029859E+6-78.947739E+3X+2.266679E+3X^2-28.881570E+0 X^3+137.780261E-3X^4；
Figure 14 be one embodiment of the invention adopt double; two squares, svd algorithm, exponent number be the screenshot capture of 5 matchings；Its fitting formula is:
Y=18.132991E+6-1.672746E+6X+61.641120E+3X^2-1.134192E+3X ^3+10420041E+0X^3+10.420041E+0X^4-38.238668E-3X^5；；
Wherein, X, Y respectively X represents angle position, and Y represents light intensity.
Software automatically can select optimal modeling method according to parameters such as residual errors from three kinds of approximating methods, and obtain the fitting formula of SPR curve according to selected optimal modeling method and matching exponent number.For example, it is possible to automatically select best approximating method and algorithm for the approximating method of Figure 12,13,14 compares least residual.
Wherein, when knee of curve and resonant positions cannot be obtained, accepted the manual assignment curve flex point of user and resonant positions by chart, SPR curve is divided into three sections.
SPR curve matching can draw the relation of characteristic interval light intensity and angle, sets up fit correlation formula, can be drawn the relational expression of variable concentrations and light intensity by kinetic curve, thus being based upon in characteristic interval concentration and the linear relationship of light intensity.
Fig. 4～Fig. 8 is present invention schematic diagram when carrying out SPR curve matching, and wherein, Fig. 4 is the full SPR curve synoptic diagram of one embodiment of the invention；Fig. 5 is the schematic diagram automatically calculating flex point and resonant positions of one embodiment of the invention；Fig. 6 is the schematic diagram to SPR curve automatic Fitting of one embodiment of the invention；Fig. 7 is the matched curve schematic diagram that SPR curve matching is obtained of one embodiment of the invention；Fig. 8 is the schematic diagram that SPR curve carries out manual matching of one embodiment of the invention；Fig. 9 is the SPR curvilinear characteristic schematic diagram of one embodiment of the invention；Figure 10 a is the angle of one embodiment of the invention and dynamic (dynamical) graph of a relation, and in figure loa, dynamic (dynamical) process of rising or falling, is namely the process moved after SPR curve formant or move forward.The change of angle can be drawn by dynamic variation, provide basis for SPR curvilinear characteristic；Figure 10 b is the kinetic test variable concentrations response schematic diagram of one embodiment of the invention；Figure 11 is according to Figure 10 b kinetic curve, by concentration 10-12—10-4G/ml, the curve synoptic diagram of negative logarithm (-1og) and light intensity.By linear fit, its linear relationship coefficient is R2According to this linear relation ,=0.9836. can show that concentration is 10-12—10-4Within the scope of g/ml, corresponding light intensity value, detects material concentration, carries out qualitative and half-quantitative analysis detection.
The SPR system based on Labview control of the present invention, it is possible to scan a wide range of θ angle (20 °-80 °) such that it is able to obtain complete SPR curve.So can solve many to be previously belonging to open studying a question.Because all changes at boundary layer can both be measured and react on SPR curve completely, it is possible to measure various sample on different environment and different interfaces, and these SPR being traditional can not accomplish.It is not only applicable to life sciences application, and can be applied in material science and sensor research.
One of ordinary skill in the art will appreciate that: accompanying drawing is the schematic diagram of an embodiment, module or flow process in accompanying drawing are not necessarily implemented necessary to the present invention.
One of ordinary skill in the art will appreciate that: the module in device in embodiment can describe in the device being distributed in embodiment according to embodiment, it is also possible to carries out respective change and is disposed other than in one or more devices of the present embodiment.The module of above-described embodiment can merge into a module, it is also possible to is further split into multiple submodule.
Last it is noted that above example is only in order to illustrate technical scheme, it is not intended to limit；Although the present invention being described in detail with reference to previous embodiment, it will be understood by those within the art that: the technical scheme described in previous embodiment still can be modified by it, or wherein portion of techniques feature is carried out equivalent replacement；And these amendments or replacement, do not make the essence of appropriate technical solution depart from the spirit and scope of embodiment of the present invention technical scheme.
Claims (7)
1. one kind controls SPR data acquisition analysis method based on Labview, it is characterised in that comprise the following steps:
According to set angle scanning scope, the change to the reflection angle of object that rotates being controlled servomotor by host computer instruction carries out coarse scanning, and according to scanning the automatic calculated curve flex point of data and resonant positions that obtain；
According to calculated flex point and resonant positions, automatically arranging position and the close scanning parameter of close scanning, the change to the reflection angle of object that rotates being controlled servomotor by host computer instruction carries out close scanning；
According to the data that close scanning obtains, automatically calculate SPR curve chart feature, including resonance angle, resonance half peak breadth and the resonance degree of depth；
Carry out SPR curve matching according to the knee of curve obtained, resonant positions, resonance angle, resonance half peak breadth and the resonance degree of depth, obtain complete SPR curve.
2. according to claim 1 based on Labview control SPR data acquisition analysis method, it is characterised in that the flow process that the data obtained carry out SPR curve matching includes:
According to calculated flex point and resonant positions, the SPR curve of wanted matching is divided into three sections；
For every section of curve, it is respectively adopted minimum absolute difference matching, least square fitting and Bisquare approximating method, wherein in the process of matching, by adjusting the parameters such as matching exponent number, tolerance and selecting SVD, Givens, Lu decomposition, Cholesky, Householder scheduling algorithm to judge least residual；
From three kinds of approximating methods, select optimal modeling method, and set up the fitting formula of SPR curve according to selected optimal modeling method.
3. according to claim 2 based on Labview control SPR data acquisition analysis method, it is characterized in that, when in test, background noise, systematic error affect test result and cannot obtain knee of curve and resonant positions, accepted the manual assignment curve flex point of user and resonant positions by chart, SPR curve is divided into three sections.
4. according to claim 1 based on Labview control SPR data acquisition analysis method, it is characterized in that, in the process of scanning, the collection point information that coarse scanning and close scanning obtain is shown in real time by chart, with calculate after SPR knee of curve and formant coordinate, and show in real time in the graph.
5. according to claim 4 based on Labview control SPR data acquisition analysis method, it is characterised in that when being shown the collection point information that close scanning obtains in real time by chart, also to accept user's reviewing historical data.
6. according to claim 1 based on Labview control SPR data acquisition analysis method, it is characterised in that further comprising the steps of:
Read kinetic test angle, test kinetic curve；By injecting strength solution and the association reaction at interface from low to high, obtain the kinetic curve of real time reaction, drawn the kinetic curve of variable concentrations by kinetic curve, and shown the combining information of variable concentrations by chart in real time.
7. according to claim 1 based on Labview control SPR data acquisition analysis method, it is characterised in that further comprising the steps of:
The concentration set up according to kinetic test matching and the kinetic curve relational expression of light intensity, draw the relation of concentration and angle, set up linear relation.
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