CN114383727B - Grating characteristic peak searching and confirming method and system in atomic absorption spectrophotometer - Google Patents
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- 238000000034 method Methods 0.000 title claims abstract description 33
- 238000010521 absorption reaction Methods 0.000 title claims abstract description 24
- 230000003595 spectral effect Effects 0.000 claims abstract description 13
- SYHGEUNFJIGTRX-UHFFFAOYSA-N methylenedioxypyrovalerone Chemical compound C=1C=C2OCOC2=CC=1C(=O)C(CCC)N1CCCC1 SYHGEUNFJIGTRX-UHFFFAOYSA-N 0.000 claims description 18
- 238000012790 confirmation Methods 0.000 claims description 17
- 238000001228 spectrum Methods 0.000 claims description 5
- 238000010200 validation analysis Methods 0.000 claims description 3
- 238000001514 detection method Methods 0.000 abstract description 4
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- 238000000921 elemental analysis Methods 0.000 description 1
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01J—MEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
- G01J3/00—Spectrometry; Spectrophotometry; Monochromators; Measuring colours
- G01J3/12—Generating the spectrum; Monochromators
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
- G01N21/01—Arrangements or apparatus for facilitating the optical investigation
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
- G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
- G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
- G01N21/31—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
- G01N21/3103—Atomic absorption analysis
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01J—MEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRARED, VISIBLE OR ULTRAVIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
- G01J3/00—Spectrometry; Spectrophotometry; Monochromators; Measuring colours
- G01J3/12—Generating the spectrum; Monochromators
- G01J2003/1204—Grating and filter
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- G—PHYSICS
- G01—MEASURING; TESTING
- G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
- G01N21/01—Arrangements or apparatus for facilitating the optical investigation
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Abstract
The invention discloses a method and a system for searching and confirming grating characteristic peaks in an atomic absorption spectrophotometer, which belong to the technical field of characteristic peak searching and comprise the following steps: s1: searching energy; s2: and (7) confirming characteristic spectral lines. The invention can avoid the influence of noise signals and confirm whether the signals meet the requirements of the characteristic peaks in the process of searching the characteristic peaks in a specific wavelength range of the grating motor, solves the problems that the judgment mode of the grating characteristic peaks in the traditional atomic absorption spectrophotometer is influenced by noise to cause wrong judgment and influence the detection accuracy, and solves the problems that the energy is too much, the occupied memory space is difficult to predict, and is worth being popularized and used.
Description
Technical Field
The invention relates to the technical field of characteristic peak search and confirmation, in particular to a method and a system for searching and confirming grating characteristic peaks in an atomic absorption spectrophotometer.
Background
Atomic absorption spectrometers, also known as atomic absorption spectrophotometers, perform elemental analysis of metals based on the absorption of characteristic radiation by atomic vapors in the ground state of matter. It can sensitively and reliably measure trace or trace elements.
The method and the system for searching and confirming the grating characteristic peak in the atomic absorption spectrophotometer are provided.
Disclosure of Invention
The technical problems to be solved by the invention are as follows: how to solve the problems that the judgment mode of the grating characteristic peak in the existing atomic absorption spectrophotometer is influenced by noise, so that erroneous judgment is easy to cause and the detection accuracy is influenced, and a grating characteristic peak searching and confirming method in the atomic absorption spectrophotometer is provided.
The invention solves the technical problems through the following technical proposal, and the invention comprises the following steps:
s1: searching for energy
Judging whether the signals acquired by the grating motor in the scanning process have continuous set points which exceed a minimum energy threshold value, recording the position of the grating motor corresponding to the maximum point of the signals after judging that the continuous set points exceed the minimum energy threshold value, and then running the grating motor to the position of the grating motor corresponding to the maximum point of the signals, namely the position of the energy maximum;
s2: feature spectral line validation
After the energy meeting the characteristic peak is found, the energy at the position is judged by adopting a mode of respectively confirming the left half peak and the right half peak, whether the energy at the position meets the curve confirmation condition of the characteristic peak is judged, and after the left half peak and the right half peak meet the curve confirmation condition of the characteristic peak, the characteristic spectral line is confirmed to be obtained.
Further, in the step S1, the minimum energy threshold is a preset minimum energy threshold satisfying the characteristic spectral line.
Further, in the step S2, the process of identifying the left half peak of the characteristic spectrum line includes the following steps:
s201: apply for memory space E 1 [interval+1]The grating motor records the energy E at the moment on the position posX of the maximum energy value 1 [0]The grating motor runs in the direction of small wavelength on the curve, and acquires a signal every time the grating motor runs, and the energy is E respectively 1 [0]、E 1 [1]…E 1 [interval]At this time, the grating motor walks leftwards by interval step while the memory space E 1 [interval]Is filled with energy values;
s202: continuing to run in the direction of small wavelength, the grating motor walks for one step to acquire the energy of the point, and the energy and E are used for the energy 1 (0) Difference is made to obtain an energy difference value err=energy-E 1 (0) If the energy difference err is smaller than the minimum difference errMin, ending the judgment, and the left half peak is not established; otherwise, executing S203;
s203: memory space E 1 [interval+1]Shift to the left, E 1 [0]=E 1 [1],E 1 [1]=E 1 [2],…E 1 [interval-1]=E 1 [interval],E 1 [interval]=energy; will be original E 1 [0]The value of (2) is represented by E 1 [1]Covering, adding energy into the end E of the memory space 1 [interval]And the energy values of other spaces are moved leftwards by one grid at the positions in the memory space;
s204: and continuing to execute the steps S202 and S203 until the repeated setting of the secondary energy difference err is equal to or greater than the minimum difference errMin, and the left half peak is established.
Further, in the step S2, the process of identifying the right half peak of the characteristic spectrum line includes the following steps:
s211: apply for memory space E 2 [interval+1]The grating motor records the energy E at the moment on the position posX of the maximum energy value 2 [0]Running in the direction of wavelength on the curve, acquiring a signal every time the grating motor moves by one step, wherein the energy is E respectively 2 [0]、E 2 [1]…E 2 [interval]At this time, the grating motor walks right at interval, and the memory space E 2 [interval]Is filled with energy values;
s212: continuing to run in the wavelength direction, and obtaining the energy of the point by one step, and using the energy and E 2 (0) Difference, err=energy-E 2 (0) If err is smaller than the minimum difference value errMin, ending the judgment, and the right half peak is not established; otherwise, executing S213;
s213: memory space E 2 [interval+1]Shift to the right, E 2 [0]=E 2 [1],E 2 [1]=E 2 [2],…E 2 [interval-1]=E 2 [interval],E 2 [interval]=energy; will be original E 2 [0]The value of (2) is represented by E 2 [1]Overlay, add energy to memory space end E 2 [interval]And the energy values of other spaces are moved rightwards by one grid at the positions in the storage space;
s214: and continuing to execute the steps S212 and S213 until the repeating cntMin times err is equal to or greater than errMin, and then establishing a right half peak.
Further, in the steps S201 and S211, E 1 [0]The value of (2) and E 2 [0]Is equal in value.
Further, the setting times in the step S204 are equal to the setting times in the step S214.
The invention also provides a grating characteristic peak searching and confirming system in the atomic absorption spectrophotometer, which adopts the grating characteristic peak searching and confirming method to search and confirm the grating characteristic peak and comprises the following steps:
the energy searching module is used for judging whether the signals acquired by the grating motor in the scanning process have continuous set points which exceed the minimum energy threshold, recording the position of the grating motor corresponding to the maximum point of the signals after judging that the continuous set points exceed the minimum energy threshold, and then running the grating motor to the position of the grating motor corresponding to the maximum point of the signals;
and the spectral line confirmation module is used for judging the energy at the position by adopting a left half peak and right half peak respectively confirmation mode after finding the energy meeting the characteristic peak, judging whether the energy at the position meets the curve confirmation condition of the characteristic peak or not, and further confirming whether the characteristic spectral line is obtained or not.
Compared with the prior art, the invention has the following advantages: according to the method for searching and confirming the grating characteristic peak in the atomic absorption spectrophotometer, in the process of searching the characteristic peak in the specific wavelength range of the grating motor, the influence of noise signals can be avoided, whether the signal meets the requirement of the characteristic peak or not is confirmed, the problem that the judgment mode of the grating characteristic peak in the existing atomic absorption spectrophotometer is affected by noise to cause wrong judgment and influence the detection accuracy is solved, the problems that the energy is too many in points and the memory space is difficult to predict are solved, and the method is worthy of popularization and use.
Drawings
FIG. 1 is a schematic diagram of signal energy search in an embodiment of the invention; (in the figure, the ordinate represents the energy value E, the abscissa represents the position of the grating motor corresponding to the wavelength, each point corresponds to one wavelength and the wavelength increases in the horizontal axis, and the position of the grating motor is in a proportional relation with the increase of the wavelength);
FIG. 2 is a schematic diagram of a signal energy search process according to an embodiment of the present invention;
FIG. 3 is a schematic diagram of a left half-peak confirmation of a characteristic spectral line in an embodiment of the present invention (in the figure, the ordinate represents an energy value E, and the abscissa represents a position of a grating motor corresponding to a wavelength, each point corresponds to a wavelength and the wavelength increases in the abscissa, and the position of the grating motor is in a proportional relationship with the increase of the wavelength);
FIG. 4 is a schematic diagram of a characteristic spectral line half-peak confirmation flow in an embodiment of the invention.
Detailed Description
The following describes in detail the examples of the present invention, which are implemented on the premise of the technical solution of the present invention, and detailed embodiments and specific operation procedures are given, but the scope of protection of the present invention is not limited to the following examples.
The embodiment provides a technical scheme: the method for searching and confirming the grating characteristic peak in the atomic absorption spectrophotometer mainly comprises the following steps:
s1: searching for energy
As shown in fig. 1 and 2, in order to avoid the influence of noise, both the minimum energy threshold that satisfies the characteristic lines and the points at which the raster motor must continuously acquire signals during scanning can exceed threshold (in order to avoid the existence of isolated high-energy points, cause erroneous judgment, therefore, the judgment of numMin is added), in the process of collecting signals, after judging that continuous numMin points can exceed the threshold MinE, recording the position of the grating motor corresponding to the maximum point of the signals, and then operating the grating motor to the position posX of the maximum energy (namely, the position of the grating motor corresponding to the maximum point of the signals);
s2: feature spectral line validation
As shown in fig. 3 and 4, in the process of searching for the characteristic peak, although the energy of the characteristic peak is found to be satisfied, whether the energy at that point satisfies the curve confirmation condition of the characteristic peak needs further verification.
In the step, the verification adopts a mode of respectively confirming a left half peak and a right half peak, and the left half peak confirmation step specifically comprises the following steps:
s201: applying for a memory space E [ interval+1], recording the energy E [0] at the moment on the energy maximum position posX of the grating motor, running in the direction of small wavelength on the curve (left side), acquiring a signal every time the grating motor walks, wherein the energy is E [0], E [1] … E [ interval ], the grating motor walks the interval step leftwards at the moment, and the memory space E [ interval ] is filled with energy values;
s202: continuing to run in the direction of small wavelength (left side), obtaining the energy of the point by one step, taking the energy and E (0) as a difference, if err=energy-E (0), ending the judgment if err is smaller than the minimum difference value errMin, and judging that the left half peak is not established; otherwise, executing S203;
s203: shifting the memory space E [ interval+1] to the left, E [0] =e [1], E [1] =e [2], … E [ interval-1] =e [ interval ], E [ interval ] =energy; this step discards the original E0 value (covered by E1), adds energy to the end of memory space E interval, and shifts the energy values of other spaces one cell to the left in the memory space;
s204: and continuing to execute the steps S202 and S203 until the repeating cntMin times err is equal to or greater than errMin, and establishing a left half peak.
The right half-peak confirmation step specifically comprises the following steps:
s211: applying for a memory space E [ interval+1], recording the energy E [0] of the grating motor at the energy maximum position posX, running (right side) in the direction of the wavelength on the curve, acquiring a signal every time the grating motor walks, wherein the energy is E [0], E [1] … E [ interval ], the grating motor walks to the right at the moment, and the memory space E [ interval ] is filled with energy values;
s212: continuing to run in the wavelength direction (right side), and running to acquire the energy of the point in one step, taking the energy and E (0) as a difference, and ending the judgment if err=energy-E (0) is smaller than the minimum difference value errMin, wherein the right half peak is not established; otherwise, executing S213;
s213: shifting the memory space E [ interval+1] to the right, E [0] =e [1], E [1] =e [2], … E [ interval-1] =e [ interval ], E [ interval ] =energy; this step discards the original E0 value (covered by E1), adds energy to the end of memory space E interval, and shifts the energy values of other spaces one cell to the right in the position of the memory space;
s214: and continuing to execute the steps S212 and S213 until the repeating cntMin times err is equal to or greater than errMin, and then establishing a right half peak.
In this embodiment, the specific values of numMin, interval, minimum energy threshold value threshhold, and minimum difference value errMin, cntMin are all practical, and are different for different models/types of atomic absorption spectrophotometers.
In summary, in the method for searching and confirming the grating characteristic peak in the atomic absorption spectrophotometer according to the above embodiment, in the process of searching the characteristic peak in the specific wavelength range by the grating motor, the influence of the noise signal can be avoided, and whether the confirmation signal meets the requirement of the characteristic peak or not can be avoided, so that the problem that the detection accuracy is affected due to erroneous judgment caused by the influence of noise in the judging mode of the grating characteristic peak in the existing atomic absorption spectrophotometer is solved, the occupied memory space is very small, the energy values of all positions do not need to be recorded, and the method is worth being popularized and used.
While embodiments of the present invention have been shown and described above, it will be understood that the above embodiments are illustrative and not to be construed as limiting the invention, and that variations, modifications, alternatives and variations may be made to the above embodiments by one of ordinary skill in the art within the scope of the invention.
Claims (6)
1. The method for searching and confirming the grating characteristic peak in the atomic absorption spectrophotometer is characterized by comprising the following steps of:
s1: searching for energy
Judging whether the signals acquired by the grating motor in the scanning process have continuous set points which exceed a minimum energy threshold value, recording the position of the grating motor corresponding to the maximum point of the signals after judging that the continuous set points exceed the minimum energy threshold value, and then running the grating motor to the position of the grating motor corresponding to the maximum point of the signals, namely the position of the energy maximum;
s2: feature spectral line validation
After the energy meeting the characteristic peak is found, the energy of the characteristic peak, namely the energy at the position of the maximum value of the energy, is judged in a mode of respectively confirming the left half peak and the right half peak, and whether the energy meets the curve confirmation condition of the characteristic peak or not is judged, and after the left half peak and the right half peak meet the curve confirmation condition of the characteristic peak, the characteristic spectral line is confirmed;
in the step S2, the process of confirming the left half peak of the characteristic spectrum line includes the following steps:
s201: apply for memory space E 1 [interval+1]The grating motor records the energy E at the moment on the position of the maximum energy value 1 [0]The grating motor runs in the direction of small wavelength on the curve, and acquires a signal every time the grating motor runs, and the energy is E respectively 1 [0]、E 1 [1]…E 1 [interval]At this time, the grating motor walks leftwards by interval step while the memory space E 1 [interval+1]Is filled with energy values;
s202: continuing to run in the direction of small wavelength, the grating motor walks for one step to acquire the energy of the point, and the energy and E are used for the energy 1 (0) Difference is made to obtain an energy difference value err=energy-E 1 (0) If the energy difference err is smaller than the minimum difference errMin, ending the judgment, and the left half peak is not established; otherwise, executing S203;
s203: memory space E 1 [interval+1]Shift to the left, E 1 [0]=E 1 [1],E 1 [1]=E 1 [2],…E 1 [interval-1]=E 1 [interval],E 1 [interval]=energy; will be original E 1 [0]The value of (2) is represented by E 1 [1]Covering, adding energy into the end E of the memory space 1 [interval]The energy values of other spaces are moved leftwards by one grid at the positions in the memory space;
s204: and continuing to execute the steps S202 and S203 until the repeated setting of the secondary energy difference err is equal to or greater than the minimum difference errMin, and the left half peak is established.
2. The method for searching and confirming the characteristic peaks of the gratings in the atomic absorption spectrophotometer according to claim 1, wherein: in the step S1, the minimum energy threshold is a preset minimum energy threshold satisfying the characteristic spectrum line.
3. The method for searching and confirming the characteristic peaks of the gratings in the atomic absorption spectrophotometer according to claim 2, wherein: in the step S2, the process of confirming the right half peak of the characteristic spectrum line includes the following steps:
s211: apply for memory space E 2 [interval+1]The grating motor records the energy E at the moment on the position of the maximum energy value 2 [0]Running in the direction of wavelength on the curve, acquiring a signal every time the grating motor moves by one step, wherein the energy is E respectively 2 [0]、E 2 [1]…E 2 [interval]At this time, the grating motor walks right at interval, and the memory space E 2 [interval+1]Is filled with energy values;
s212: continuing to run in the wavelength direction, and obtaining the energy of the point by one step, and using the energy and E 2 (0) Difference, err=energy-E 2 (0) If err is smaller than the minimum difference value errMin, ending the judgment, and the right half peak is not established; otherwise, executing S213;
s213: memory space E 2 [interval+1]Shift to the right, E 2 [0]=E 2 [1],E 2 [1]=E 2 [2],…E 2 [interval-1]=E 2 [interval],E 2 [interval]=energy; will be original E 2 [0]The value of (2) is represented by E 2 [1]Overlay, add energy to memory space end E 2 [interval]The energy values of other spaces are moved rightwards by one grid at the positions in the storage space;
s214: and continuing to execute the steps S212 and S213 until the repeated setting of the secondary energy difference err is equal to or greater than the minimum difference errMin, and the right half peak is established.
4. The method for searching and confirming a characteristic peak of a grating in an atomic absorption spectrophotometer according to claim 3, wherein: in the steps S201 and S211, E 1 [0]The value of (2) and E 2 [0]Equal in value, all being the energy maximum.
5. The method for confirming the searching of the characteristic peaks of the gratings in the atomic absorption spectrophotometer according to claim 4, wherein: the setting times in the step S204 are equal to the setting times in the step S214.
6. The system for searching and confirming the characteristic peak of the grating in the atomic absorption spectrophotometer is characterized in that: the method for searching and confirming the grating characteristic peak according to claim 5 comprises the following steps:
the energy searching module is used for judging whether the signals acquired by the grating motor in the scanning process have continuous set points which exceed the minimum energy threshold, recording the position of the grating motor corresponding to the maximum point of the signals after judging that the continuous set points exceed the minimum energy threshold, and then running the grating motor to the position of the grating motor corresponding to the maximum point of the signals;
and the spectral line confirmation module is used for judging the energy at the position by adopting a left half peak and right half peak respectively confirmation mode after finding the energy meeting the characteristic peak, judging whether the energy at the position meets the curve confirmation condition of the characteristic peak or not, and further confirming whether the characteristic spectral line is obtained or not.
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JPH10318837A (en) * | 1997-05-20 | 1998-12-04 | Jeol Ltd | Method for judging peak in spectrum |
JP2011257206A (en) * | 2010-06-08 | 2011-12-22 | Shimadzu Corp | Peak detection method and device |
JP5519841B1 (en) * | 2013-07-22 | 2014-06-11 | 日本分光株式会社 | Peak detection method on 3D spectral data |
CN105424185A (en) * | 2015-11-04 | 2016-03-23 | 清华大学 | Computer assisted full-waveband spectrometer wavelength calibration method |
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Publication number | Priority date | Publication date | Assignee | Title |
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JPH07128260A (en) * | 1993-10-29 | 1995-05-19 | Shimadzu Corp | Fluorescent x-ray analyzing device |
JPH10318837A (en) * | 1997-05-20 | 1998-12-04 | Jeol Ltd | Method for judging peak in spectrum |
JP2011257206A (en) * | 2010-06-08 | 2011-12-22 | Shimadzu Corp | Peak detection method and device |
JP5519841B1 (en) * | 2013-07-22 | 2014-06-11 | 日本分光株式会社 | Peak detection method on 3D spectral data |
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