CN107589138A - A kind of CCD for SAXS atlas analysis disappears fuzzy method and system - Google Patents
A kind of CCD for SAXS atlas analysis disappears fuzzy method and system Download PDFInfo
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- CN107589138A CN107589138A CN201610537012.7A CN201610537012A CN107589138A CN 107589138 A CN107589138 A CN 107589138A CN 201610537012 A CN201610537012 A CN 201610537012A CN 107589138 A CN107589138 A CN 107589138A
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Abstract
It is used to eliminate methods of the CCD to scattering light source light fleck sound the present invention relates to a kind of, this method comprises the following steps：The step of obtaining scatter pattern：Obtain the two-dimentional SAXS scatter patterns for the scattering light source hot spot that CCD is gathered；The step of describing the scatter pattern of blurring：The two-dimentional SAXS scatter patterns for the scattering light source hot spot that the CCD is gathered are described using point spread function；The step of correcting scatter pattern：The adjustable parameter in point spread function is adjusted to eliminate influences of the CCD to the two-dimensional scattering collection of illustrative plates of synchrotron radiation light source hot spot.It is used to eliminate systems of the CCD to scattering light source light fleck sound the invention further relates to a kind of.By using the above method and system, more accurate data can be provided for the digital simulation of two-dimentional SAXS scatter patterns.
Description
Technical field
The invention belongs to small angle X ray scattering theoretical calculation field, and in particular to a kind of CCD for SAXS atlas analysis
Disappear fuzzy method and system, the mould that disappears of this method and system available for synchrotron radiation small angle X ray scattering experiment line station CCD plates
Gelatinization.
Background technology
Small angle X ray scattering (SAXS) is to occur, in the scattering phenomenon near incident beam in very little angular range, to study carefully it
Essence be due in the range of one to hundreds of nanometers electron density it is uneven caused by scattering.SAXS is that detection material internal is received
The important means of the metrical scale structure of matter.The advantages of SAXS is wide with applicable sample scope, and sample preparation is simple, has become
Effective research meanses of the multiple fields such as chemistry, material science, molecular biology, medicine and pharmacology and Condensed Matter Physics.
However, SAXS development is limited to, although its test is relatively easy, and data analysis is complicated, and influence factor is numerous.
The method that its data analysis largely uses the analysis and scattering strength digital simulation of one-dimensional curve shape, in recent years with same
The construction and application of radiating light source are walked, SAXS research meanses and theory analysis means based on synchrotron radiation are developed.
Two-dimentional SAXS scatter patterns digital simulation method has obtained the extensive attention of scholar as effective means of numerical analysis.But by
Complicated in its calculating, influence factor is more and the development of this analysis method is restricted.Above-mentioned influence factor is just
Including due to synchrotron radiation line station take collection signal CCD plates the mechanism of action and caused influence.
X-ray intensity generally use CCD (Charge Coupled Device) or IP plates (Image plate) detection,
CCD has the advantages that high sensitivity, speed are fast, is the first choice at synchrotron radiation line station.But photosensitive pixel is small-sized, only
Tens microns, for the CCD of 2048 × 2048 pixels, its overall size only has 55mm × 55mm, than one two-dimensional scattering figure
The area of spectrum is much smaller.In order to solve these problems, generally use indirect irradiation method, i.e., first with the phosphorescent screen of one piece of large area
X ray is received, excites the phosphorescent molecules on phosphorescent screen, so as to which X ray is changed into visible ray, then will by optical fiber Coupling System
Caused visible ray is passed on the CCD of fritter, and sub-image is formed on CCD.Because phosphorescence plate suqare and CCD areas are inconsistent, in
Between optical fiber by being slightly tapered, typically bored with the slim contracting of optics and than (fiber-optic taper) define the journey to attenuate
Degree.If the Mar research mar 165CCD manufactured contracting cone is than being 2.7:1. the material of phosphor is usually to mix Eu's or Tb
Rare earth oxysulfide, with it is more be Gd2O2S:Tb, Y2O2S:Tb or Y2O2S:Eu.Y compounds have higher compared with Gd compounds
Efficiency, but it is more preferable to below 12KeV X ray Gd compounds.
Two-dimensional scattering collection of illustrative plates shown by CCD is after phosphorescent molecules excite luminous and optical fiber contracting cone than adjustment
Obtained result.Scattering strength is handled in above-mentioned CCD adjustment so that obtained result exists with actual strength
Certain error, in order to obtain accurate scattering object structure, it is necessary to which the influence to CCD is modified.
The content of the invention
In order to solve the above-mentioned technical problem, the present invention proposes a kind of CCD for SAXS atlas analysis and disappeared blurring side
Method and system, the blurring degree of the X-ray signal by CCD collections is represented using point spread function, so as to be two dimension
The digital simulation of SAXS scatter patterns provides more accurate data.
A kind of method rung for eliminating CCD to scattering light source light fleck proposed by the present invention, this method include following step
Suddenly：
The step of obtaining scatter pattern：Obtain the two-dimentional SAXS scatter patterns for the scattering light source hot spot that CCD is gathered；
The step of describing the scatter pattern of blurring：The scattering light that the CCD is gathered is described using point spread function
The two-dimentional SAXS scatter patterns of source hot spot；
The step of correcting scatter pattern：The adjustable parameter in point spread function is adjusted to eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering collection of illustrative plates of hot spot.
Further, shown in the form of point spread function such as formula (1)：
Wherein, the first half of function is the main body function of point spread function；Latter half is hangover function, and trail function
For describing smearing, i.e. influences of the CCD to the two-dimensional scattering collection of illustrative plates of synchrotron radiation light source hot spot；Parameter q12For Scattering of Vector
Q is in the component of meridian direction, q3For the component in Scattering of Vector q directions under the line, SxFor q12Variance on meridian direction, Sy
For q3Variance on direction under the line, c, d, α are the parameter for defining smearing, and parameter c defines the peak height of hangover function, d, α
The shape of definition hangover function；Sx、Sy, c, d and α be adjustable parameter.
Further, the adjustable parameter S in adjustment type (1) is passed throughx、Sy, c, d and α eliminate CCD to synchrotron radiation light
The influence of the two-dimensional scattering collection of illustrative plates of source hot spot.
The present invention also proposes a kind of system rung for eliminating CCD to scattering light source light fleck, and the system includes following mould
Block：
Obtain the module of scatter pattern：Obtain the two-dimentional SAXS scatter patterns for the scattering light source hot spot that CCD is gathered；
The module of the scatter pattern of blurring is described：The scattering light that the CCD is gathered is described using point spread function
The two-dimentional SAXS scatter patterns of source hot spot；
Correct the module of scatter pattern：The adjustable parameter in point spread function is adjusted to eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering collection of illustrative plates of hot spot.
Further, shown in the form of point spread function such as formula (1)：
Wherein, the first half of function is the main body function of point spread function；Latter half is hangover function, and trail function
For describing smearing, i.e. influences of the CCD to the two-dimensional scattering collection of illustrative plates of synchrotron radiation light source hot spot；Parameter q12For Scattering of Vector
Q is in the component of meridian direction, q3For the component in Scattering of Vector q directions under the line, SxFor q12Variance on meridian direction, Sy
For q3Variance on direction under the line, c, d, α are the parameter for defining smearing, and parameter c defines the peak height of hangover function, d, α
The shape of definition hangover function；Sx、Sy, c, d and α be adjustable parameter.
Further, the adjustable parameter S in adjustment type (1) is passed throughx、Sy, c, d and α eliminate CCD to synchrotron radiation light
The influence of the two-dimensional scattering collection of illustrative plates of source hot spot.
Beneficial effects of the present invention：The present invention represents that the X of the synchrotron radiation by CCD collections is penetrated using point spread function
The blurring degree of the visual signals of line, the wherein first half of function are the main body function of PSF function, and latter half is to retouch
The hangover function of smearing is stated, the blurring of smearing is so eliminated by the relevant parameter in Tuning function to be influenceed, from
And provide more accurate data for the digital simulation of two-dimentional SAXS scatter patterns.
Brief description of the drawings
Fig. 1 is flow chart of the method for the present invention.
Fig. 2 is the system block diagram of the present invention.
Fig. 3 and Fig. 4 is the schematic shapes that the present invention sets different adjustable parameters.
Fig. 5 is the targeted synchrotron radiation light source light spot shape of the embodiment of the present invention.
Embodiment
For the object, technical solutions and advantages of the present invention are more clearly understood, below in conjunction with specific embodiment, and reference
Accompanying drawing, the present invention is described in more detail.But those skilled in the art know, the invention is not limited in accompanying drawing and following reality
Apply example.
A kind of CCD for SAXS atlas analysis proposed by the present invention disappears fuzzy method, as shown in figure 1, including following
Step：
The step of obtaining scatter pattern：Obtain the two-dimentional SAXS scatter patterns for the scattering light source hot spot that CCD is gathered；
The step of describing the scatter pattern of blurring：Utilize point spread function (Point spread function, PSF)
To describe the two-dimentional SAXS scatter patterns for the scattering light source hot spot that the CCD is gathered；
The step of correcting scatter pattern：The adjustable parameter in point spread function is adjusted to eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering collection of illustrative plates of hot spot.
Further, shown in the form of point spread function such as formula (1)：
Wherein, the first half of function is the main body function of PSF function；Latter half is hangover function, and hangover function is used
To describe smearing, i.e. influences of the CCD to the two-dimensional scattering collection of illustrative plates of synchrotron radiation light source hot spot.Parameter q12For Scattering of Vector q
In the component of meridian direction, q3For the component in Scattering of Vector q directions under the line, SxFor q12Variance on meridian direction, SyFor
q3Variance on direction under the line, c, d, α are the parameter for defining smearing, and parameter c defines the peak height of hangover function, that is, is used for
The intensity of hot spot is represented, d, α define the shape of hangover function；Sx、Sy, c, d and α be adjustable parameter.
Further, the adjustable parameter S in adjustment type (1) is passed throughx、Sy, c, d and α eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering collection of illustrative plates of hot spot.
It is used to eliminate systems of the CCD to scattering light source light fleck sound the invention also provides a kind of, as shown in Fig. 2 including
Following modules：
Obtain the module of scatter pattern：Obtain the two-dimentional SAXS scatter patterns for the scattering light source hot spot that CCD is gathered；
The module of the scatter pattern of blurring is described：Utilize point spread function (Point spread function, PSF)
To describe the two-dimentional SAXS scatter patterns for the scattering light source hot spot that the CCD is gathered；
Correct the module of scatter pattern：The adjustable parameter in point spread function is adjusted to eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering collection of illustrative plates of hot spot.
Further, shown in the form of point spread function such as formula (1)：
Wherein, the first half of function is the main body function of PSF function；Latter half is hangover function, and hangover function is used
To describe smearing, i.e. influences of the CCD to the two-dimensional scattering collection of illustrative plates of synchrotron radiation light source hot spot.Parameter q12For Scattering of Vector q
In the component of meridian direction, q3For the component in Scattering of Vector q directions under the line, SxFor q12Variance on meridian direction, SyFor
q3Variance on direction under the line, c, d, α are the parameter for defining smearing, and parameter c defines the peak height of hangover function, that is, is used for
The intensity of hot spot is represented, parameter d, α defines the shape of hangover function；Sx、Sy, c, d and α be adjustable parameter.
Further, the adjustable parameter S in adjustment type (1) is passed throughx、Sy, c, d and α eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering collection of illustrative plates of hot spot.
The following examples give the concrete condition for the point spread function for setting different adjustable parameters, as shown in Figure 3,4.
Wherein, Fig. 3 shows the schematic shapes that adjusting parameter d is obtained, and Fig. 4 shows the schematic shapes that adjusting parameter α is obtained.
Embodiment 1：
The design parameter of PSF function is defined, is provided with parameter Sx=0.002, Sy=0.002, c=0.2, d=10, α=
0.35, as shown in Figure 3A.
Embodiment 2：
The design parameter of PSF function is defined, is provided with parameter Sx=0.002, Sy=0.002, c=0.2, d=100, α
=0.35, as shown in Figure 3 B.
Embodiment 3：
The design parameter of PSF function is defined, is provided with parameter Sx=0.002, Sy=0.002, c=0.2, d=200, α
=0.35, as shown in Figure 3 C.
Embodiment 4：
The design parameter of PSF function is defined, is provided with parameter Sx=0.002, Sy=0.002, c=0.2, d=500, α
=0.35, as shown in Figure 3 D.
Embodiment 5：
The design parameter of PSF function is defined, is provided with parameter Sx=0.002, Sy=0.002, c=0.15, d=100, α
=0.35, as shown in Fig. 4 Α.
Embodiment 6：
The design parameter of PSF function is defined, is provided with parameter Sx=0.002, Sy=0.002, c=0.15, d=100, α
=2.35, as shown in Figure 4 B.
Embodiment 7：
The design parameter of PSF function is defined, is provided with parameter Sx=0.002, Sy=0.002, c=0.15, d=100, α
=3.35, as shown in Figure 4 C.
Embodiment 8：
The design parameter of PSF function is defined, is provided with parameter Sx=0.002, Sy=0.002, c=0.15, d=100, α
=5.35, as shown in Figure 4 D.
Carrying out analysis using above-mentioned formula can obtain, and with the increase of d values, hangover function is gradually to central reduction, i.e.,
Smearing is less and less, and with the reduction of d values, then smearing is more serious, as shown in Figure 3.And as shown in figure 4, when ginseng
During number d=100, influence of the parameter alpha to the function that trails is, as α gradually increases, hangover function is gradually to central reduction, effect
It is similar with d increases.
The targeted light source hot spot true shape of above-described embodiment as shown in figure 5, the other specification of its scattering object referring to table
1。
| Parameter | Meaning of parameters | Value |
| qmax | Scattering of Vector maximum | 0.2 |
| qmin | Scattering of Vector minimum value | 0.0001 |
| Rs | Short axle average value | 50 |
| VRs | Short axle variance | 10 |
| RL | Major axis average value | 300 |
| VRL | Major axis variance | 10 |
| Circle | Accumulative frequency | 100 |
| к | Angle of orientation profile shape parameter | 500 |
Table 1
The influence being blurred by the way that CCD is calculated to SAXS two-dimensional scatterings collection of illustrative plates, so as to carry out SAXS two-dimensional scatterings
When collection of illustrative plates calculates, the error that parameter d, α, c by constantly adjusting hangover function are calculated reduces, and is utilized so as to eliminate
CCD is projected and caused blurring influences so that the SAXS two-dimensional scatterings collection of illustrative plates cast out can more really reflect scattered
Intensity is penetrated, so as to more accurately describe the structure of scattering object.
For the specific detector in practical operation, those skilled in the art can also define PSF according to its technical parameter
The design parameter of function.
More than, embodiments of the present invention are illustrated.But the present invention is not limited to above-mentioned embodiment.It is all
Within the spirit and principles in the present invention, any modification, equivalent substitution and improvements done etc., it should be included in the guarantor of the present invention
Within the scope of shield.
Claims (6)
1. a kind of be used to eliminate the method that CCD rings scattering light source light fleck, it is characterised in that this method comprises the following steps：
The step of obtaining scatter pattern：Obtain the two-dimentional SAXS scatter patterns for the scattering light source hot spot that CCD is gathered；
The step of describing the scatter pattern of blurring：The scattering light source light that the CCD is gathered is described using point spread function
The two-dimentional SAXS scatter patterns of spot；
The step of correcting scatter pattern：The adjustable parameter in point spread function is adjusted to eliminate CCD to synchrotron radiation light source hot spot
Two-dimensional scattering collection of illustrative plates influence.
2. according to the method for claim 1, it is characterised in that shown in the form of point spread function such as formula (1)：
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Wherein, the first half of function is the main body function of point spread function；Latter half is hangover function, and hangover function is used for
Smearing, i.e. influences of the CCD to the two-dimensional scattering collection of illustrative plates of synchrotron radiation light source hot spot are described；Parameter q12Exist for Scattering of Vector q
The component of meridian direction, q3For the component in Scattering of Vector q directions under the line, SxFor q12Variance on meridian direction, SyFor q3
Variance on direction under the line, c, d, α are the parameter for defining smearing, and parameter c defines the peak height of hangover function, d, α definition
The shape of hangover function；Sx、Sy, c, d and α be adjustable parameter.
3. according to the method for claim 2, it is characterised in that pass through the adjustable parameter S in adjustment type (1)x、Sy, c, d and α
To eliminate influences of the CCD to the two-dimensional scattering collection of illustrative plates of synchrotron radiation light source hot spot.
4. a kind of be used to eliminate the system that CCD rings scattering light source light fleck, it is characterised in that the system includes following modules：
Obtain the module of scatter pattern：Obtain the two-dimentional SAXS scatter patterns for the scattering light source hot spot that CCD is gathered；
The module of the scatter pattern of blurring is described：The scattering light source light that the CCD is gathered is described using point spread function
The two-dimentional SAXS scatter patterns of spot；
Correct the module of scatter pattern：The adjustable parameter in point spread function is adjusted to eliminate CCD to synchrotron radiation light source hot spot
Two-dimensional scattering collection of illustrative plates influence.
5. system according to claim 4, it is characterised in that shown in the form of point spread function such as formula (1)：
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Wherein, the first half of function is the main body function of point spread function；Latter half is hangover function, and hangover function is used for
Smearing, i.e. influences of the CCD to the two-dimensional scattering collection of illustrative plates of synchrotron radiation light source hot spot are described；Parameter q12Exist for Scattering of Vector q
The component of meridian direction, q3For the component in Scattering of Vector q directions under the line, SxFor q12Variance on meridian direction, SyFor q3
Variance on direction under the line, c, d, α are the parameter for defining smearing, and parameter c defines the peak height of hangover function, d, α definition
The shape of hangover function；Sx、Sy, c, d and α be adjustable parameter.
6. system according to claim 5, it is characterised in that pass through the adjustable parameter S in adjustment type (1)x、Sy, c, d and α
To eliminate influences of the CCD to the two-dimensional scattering collection of illustrative plates of synchrotron radiation light source hot spot.
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| CN107589138B (en) | 2019-08-27 |
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