CN107589138B - 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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- CN107589138B CN107589138B CN201610537012.7A CN201610537012A CN107589138B CN 107589138 B CN107589138 B CN 107589138B CN 201610537012 A CN201610537012 A CN 201610537012A CN 107589138 B CN107589138 B CN 107589138B
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Abstract
The method that the present invention relates to a kind of to ring scattering light source light fleck for eliminating CCD, this method include the following steps: the step of obtaining scatter pattern: obtaining the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected；The step of describing the scatter pattern of blurring: the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected is described using point spread function；The step of correcting scatter pattern: the adjustable parameter in point spread function is adjusted to eliminate influence of the CCD to the two-dimensional scattering map of synchrotron radiation light source hot spot.The system that the invention further relates to a kind of to ring scattering light source light fleck for eliminating CCD.By using the above method and system, more accurate data can be provided for the digital simulation of two dimension SAXS scatter pattern.
Description
Technical field
The invention belongs to small angle X ray scattering theoretical calculation fields, and in particular to a kind of CCD for SAXS atlas analysis
Disappear fuzzy method and system, and this method and system can be used for the mould that disappears of synchrotron radiation small angle X ray scattering experiment line station CCD plate
Gelatinization.
Background technique
Small angle X ray scattering (SAXS) is the scattering phenomenon occurred near the incident beam in very little angular range, studies 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.SAXS has applicable sample scope wide, and the advantage that sample preparation is simple, has become
Effective research means of the multiple fields such as chemistry, material science, molecular biology, medicine and pharmacology and Condensed Matter Physics.
However, the development of SAXS is limited to, although its test is relatively easy, and data analysis is complicated, and influence factor is numerous.
The method of the most of analysis and scattering strength digital simulation using one-dimensional curve shape of its data analysis, in recent years with same
The construction and application of radiating light source are walked, SAXS research means and theory analysis means based on synchrotron radiation are developed.
Two-dimentional SAXS scatter pattern digital simulation method has obtained the extensive attention of scholar as effective means of numerical analysis.But by
Complexity is calculated in it, influence factor is more and the development of this analysis method is restricted.Above-mentioned influence factor is just
The mechanism of action of CCD plate including the acquisition signal taken due to synchrotron radiation line station and the influence generated.
X-ray intensity generallys use CCD (Charge Coupled Device) or IP plate (Image plate) detection,
CCD has many advantages, such as 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, 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, indirect irradiation method is generallyd use, i.e., first with the phosphorescent screen of one piece of large area
X-ray is received, the phosphorescent molecules on phosphorescent screen are excited, so that X-ray is changed into visible light, then will by optical fiber Coupling System
The visible light of generation passes on the CCD of fritter, and sub-image is formed on CCD.Since phosphorescence plate suqare and CCD area are inconsistent, in
Between optical fiber by being slightly tapered, generally bored with the slim contracting of optics and define the journey to attenuate than (fiber-optic taper)
Degree.If the contracting cone of the Mar research mar 165CCD manufactured is usually mixing Eu or Tb than the material for being 2.7:1. phosphor
Rare earth oxysulfide, with it is more be Gd2O2S:Tb, Y2O2S:Tb or Y2O2S:Eu.Y compound has higher compared with Gd compound
Efficiency, but it is more preferable to 12KeV X-ray Gd compound below.
Two-dimensional scattering map shown by CCD is after phosphorescent molecules excitation shines and the contracting of optical fiber cone is than adjustment
Obtained result.Scattering strength is handled in above-mentioned CCD adjustment, so that obtained result and actual strength exist
Certain error, accurate scatterer structure, needs to be modified the influence of CCD in order to obtain.
Summary of the invention
In order to solve the above-mentioned technical problem, disappear the side of blurring the invention proposes a kind of CCD for SAXS atlas analysis
Method and system indicate the blurring degree by the CCD X-ray signal acquired using point spread function, thus for two dimension
The digital simulation of SAXS scatter pattern 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 includes following step
It is rapid:
The step of obtaining scatter pattern: the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected is obtained；
The step of describing the scatter pattern of blurring: CCD scattering light collected is described using point spread function
The two-dimentional SAXS scatter pattern 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 map 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. influence of the CCD to the two-dimensional scattering map of synchrotron radiation light source hot spot；Parameter q12For Scattering of Vector
Component of the q in meridian direction, q3For the component in the direction under the line Scattering of Vector q, 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, by adjusting the adjustable parameter S in formula (1)x、Sy, c, d and α eliminate CCD to synchrotron radiation light
The influence of the two-dimensional scattering map of source hot spot.
The present invention also proposes a kind of system rung for eliminating CCD to scattering light source light fleck, which includes following mould
Block:
It obtains the module of scatter pattern: obtaining the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected；
It describes the module of the scatter pattern of blurring: describing CCD scattering light collected using point spread function
The two-dimentional SAXS scatter pattern of source hot spot；
It corrects the module of scatter pattern: adjusting the adjustable parameter in point spread function to eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering map 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. influence of the CCD to the two-dimensional scattering map of synchrotron radiation light source hot spot；Parameter q12For Scattering of Vector
Component of the q in meridian direction, q3For the component in the direction under the line Scattering of Vector q, 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, by adjusting the adjustable parameter S in formula (1)x、Sy, c, d and α eliminate CCD to synchrotron radiation light
The influence of the two-dimensional scattering map of source hot spot.
Beneficial effects of the present invention: the present invention indicates to penetrate by the X of the CCD synchrotron radiation acquired using point spread function
The blurring degree of the visual signals of line, wherein the first half of function is the main body function of PSF function, and latter half is to retouch
The hangover function of smearing is stated, the blurring for eliminating smearing in this way by adjusting the relevant parameter in function influences, from
And the digital simulation for two-dimentional SAXS scatter pattern provides more accurate data.
Detailed description of the invention
Fig. 1 is flow chart of the method for the present invention.
Fig. 2 is system block diagram of the invention.
Fig. 3 and Fig. 4 is the schematic shapes that different adjustable parameters are arranged in the present invention.
Fig. 5 is the targeted synchrotron radiation light source light spot shape of the embodiment of the present invention.
Specific embodiment
To make the objectives, technical solutions, and advantages of the present invention clearer, below in conjunction with specific embodiment, and reference
Attached drawing, the present invention is described in more detail.But as known to those skilled in the art, the invention is not limited to attached drawings 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: the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected is obtained；
The step of describing the scatter pattern of blurring: it utilizes point spread function (Point spread function, PSF)
To describe the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected；
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 map 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. influence of the CCD to the two-dimensional scattering map of synchrotron radiation light source hot spot.Parameter q12For Scattering of Vector q
In the component of meridian direction, q3For the component in the direction under the line Scattering of Vector q, 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 to
Indicate the intensity of hot spot, d, α define the shape of hangover function；Sx、Sy, c, d and α be adjustable parameter.
Further, by adjusting the adjustable parameter S in formula (1)x、Sy, c, d and α eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering map of hot spot.
The system that the invention also provides a kind of to ring scattering light source light fleck for eliminating CCD, as shown in Fig. 2, including
Following modules:
It obtains the module of scatter pattern: obtaining the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected；
It describes the module of the scatter pattern of blurring: utilizing point spread function (Point spread function, PSF)
To describe the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected；
It corrects the module of scatter pattern: adjusting the adjustable parameter in point spread function to eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering map 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. influence of the CCD to the two-dimensional scattering map of synchrotron radiation light source hot spot.Parameter q12For Scattering of Vector q
In the component of meridian direction, q3For the component in the direction under the line Scattering of Vector q, 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 to
Indicate that the intensity of hot spot, parameter d, α define the shape of hangover function；Sx、Sy, c, d and α be adjustable parameter.
Further, by adjusting the adjustable parameter S in formula (1)x、Sy, c, d and α eliminate CCD to synchrotron radiation light source
The influence of the two-dimensional scattering map of hot spot.
The following examples give the concrete condition that the point spread function of different adjustable parameters is arranged, 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 for defining PSF function, 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 for defining PSF function, is provided with parameter Sx=0.002, Sy=0.002, c=0.2, d=100, α
=0.35, as shown in Figure 3B.
Embodiment 3:
The design parameter for defining PSF function, 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 for defining PSF function, is provided with parameter Sx=0.002, Sy=0.002, c=0.2, d=500, α
=0.35, as shown in Figure 3D.
Embodiment 5:
The design parameter for defining PSF function, 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 for defining PSF function, 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 for defining PSF function, 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 for defining PSF function, is provided with parameter Sx=0.002, Sy=0.002, c=0.15, d=100, α
=5.35, as shown in Figure 4 D.
Analyze using above-mentioned formula available, with the increase of d value, the function that trails is gradually to central reduction, i.e.,
Smearing is smaller and smaller, and with the reduction of d value, then smearing is more serious, as shown in Figure 3.And as shown in figure 4, when ginseng
When number d=100, influence of the parameter alpha to hangover function is, as α is gradually increased, the function that trails is gradually to central reduction, effect
It is similar with d increase.
The targeted light source hot spot true shape of above-described embodiment as shown in figure 5, the other parameters of its scatterer referring to table
1。
| Parameter | Meaning of parameters | Value |
| qmax | Scattering of Vector maximum value | 0.2 |
| qmin | Scattering of Vector minimum value | 0.0001 |
| Rs | Short axle average value | 50 |
| VRs | Short axle variance | 10 |
| RL | Long axis average value | 300 |
| VRL | Long axis variance | 10 |
| Circle | Accumulative frequency | 100 |
| к | Angle of orientation profile shape parameter | 500 |
Table 1
The influence that CCD is blurred SAXS two-dimensional scattering map is obtained by calculation, thus carrying out SAXS two-dimensional scattering
When map calculates, parameter d, α, c by constantly adjusting hangover function reduce the error calculated, to eliminate utilization
The blurring that CCD is projected and generated influences, and the SAXS two-dimensional scattering map cast out is more really reflected scattered
Intensity is penetrated, so as to describe the structure of scatterer more accurately.
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 embodiment.It is all
Within the spirit and principles in the present invention, any modification, equivalent substitution, improvement and etc. done should be included in guarantor of the invention
Within the scope of shield.
Claims (4)
1. a kind of method rung for eliminating CCD to scattering light source light fleck, which is characterized in that this method includes the following steps:
The step of obtaining scatter pattern: the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected is obtained；
The step of describing the scatter pattern of blurring: CCD scattering light source light collected is described using point spread function
The two-dimentional SAXS scatter pattern 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 map influence；Wherein, shown in the form of the 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 hangover function is used to
Smearing, i.e. influence of the CCD to the two-dimensional scattering map 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 the direction under the line Scattering of Vector q, 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.
2. the method according to claim 1, wherein by adjusting the adjustable parameter S in formula (1)x、Sy, c, d and α
To eliminate influence of the CCD to the two-dimensional scattering map of synchrotron radiation light source hot spot.
3. a kind of system rung for eliminating CCD to scattering light source light fleck, which is characterized in that the system includes following modules:
It obtains the module of scatter pattern: obtaining the two-dimentional SAXS scatter pattern of CCD scattering light source hot spot collected；
It describes the module of the scatter pattern of blurring: describing CCD scattering light source light collected using point spread function
The two-dimentional SAXS scatter pattern of spot；
It corrects the module of scatter pattern: adjusting the adjustable parameter in point spread function to eliminate CCD to synchrotron radiation light source hot spot
Two-dimensional scattering map influence；Wherein, shown in the form of the 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 hangover function is used to
Smearing, i.e. influence of the CCD to the two-dimensional scattering map 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 the direction under the line Scattering of Vector q, 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.
4. system according to claim 3, which is characterized in that by adjusting the adjustable parameter S in formula (1)x、Sy, c, d and α
To eliminate influence of the CCD to the two-dimensional scattering map of synchrotron radiation light source hot spot.
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