CN114383727A - Method and system for searching and confirming grating characteristic peak in atomic absorption spectrophotometer - Google Patents
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Abstract
The invention discloses a grating characteristic peak searching and confirming method and a system in an atomic absorption spectrophotometer, belonging to the technical field of characteristic peak searching and comprising the following steps: s1: searching energy; s2: and (5) confirming the characteristic spectral line. In the process of searching the characteristic peak in the specific wavelength range by the grating motor, the influence of a noise signal can be avoided, whether the signal meets the requirement of the characteristic peak or not can be confirmed, the problems that the judgment mode of the grating characteristic peak in the existing atomic absorption spectrophotometer is influenced by noise to cause wrong judgment and influence the detection accuracy are solved, the problems that the energy points are too many and the memory space is occupied and is difficult to predict are solved, and the method is worthy of popularization and application.
Description
Technical Field
The invention relates to the technical field of characteristic peak searching and confirming, in particular to a grating characteristic peak searching and confirming method and system in an atomic absorption spectrophotometer.
Background
Atomic absorption spectrometers, also known as atomic absorption spectrophotometers, perform elemental analysis of metals based on the effect of atomic vapor in the ground state of a substance on the absorption of characteristic radiation. It can sensitively and reliably measure trace elements.
The problem that the determination method of the grating characteristic peak in the existing atomic absorption spectrophotometer is influenced by noise, so that erroneous determination is easily caused and the detection accuracy is influenced is urgently solved, and therefore, a method and a system for searching and confirming the grating characteristic peak in the atomic absorption spectrophotometer are provided.
Disclosure of Invention
The technical problem to be solved by the invention is as follows: how to solve the problem that the judgment mode of the grating characteristic peak in the existing atomic absorption spectrophotometer is influenced by noise, thereby easily causing wrong judgment and influencing the detection accuracy, and provides a method for searching and confirming the grating characteristic peak in the atomic absorption spectrophotometer.
The invention solves the technical problems through the following technical scheme, and the invention comprises the following steps:
s1: seeking energy
Judging whether continuous set points of signals acquired by a grating motor in the scanning process exceed a minimum energy threshold value or not, recording the position of the grating motor corresponding to the maximum value of the signals after judging that the continuous set points exceed the minimum energy threshold value, and operating the grating motor to the position of the grating motor corresponding to the maximum value of the signals, namely the position of the maximum value of the energy;
s2: characteristic line identification
And after the energy meeting the characteristic peak is found, judging the energy by adopting a left half peak and a right half peak respectively confirmation mode, judging whether the energy meets the curve confirmation condition of the characteristic peak, and confirming to obtain the characteristic spectral line after the left half peak and the right half peak both meet the curve confirmation condition of the characteristic peak.
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 spectral line includes the following steps:
s201: application for memory space E1[interval+1]The grating motor is at the position posX of the maximum energy value, and the energy E at the moment is recorded1[0]The grating motor operates in the direction with small wavelength on the curve, and acquires a signal once every step, wherein the energy is E1[0]、E1[1]…E1[interval]At the moment, the grating motor rotates toWalk the interval step to the left while the memory space E1[interval]Filled by the energy value;
s202: the grating motor continuously runs in the direction with small wavelength, and the energy is obtained by one step of the walking of the grating motor, and the energy and the energy E are used1(0) Obtaining the energy difference value err ═ energy-E by difference1(0) If the energy difference value err is smaller than the minimum difference value errMin, the judgment is finished, and the left half peak is not established; otherwise, executing S203;
s203: to the memory space E1[interval+1]Shift to the left, E1[0]=E1[1],E1[1]=E1[2],…E1[interval-1]=E1[interval],E1[interval]Energy; will be E1[0]Has a value of E1[1]Covering, energy added to memory space end E1[interval]And the positions of the energy values of other spaces in the memory space are all moved to the left by one grid;
s204: and continuing to execute the steps S202 and S203 until the repeated setting of the secondary energy difference value err is larger than or equal to the minimum difference value errMin, and then the left half peak is established.
Further, in the step S2, the process of identifying the right half peak of the characteristic spectrum includes the following steps:
s211: application for memory space E2[interval+1]The grating motor is at the position posX of the maximum energy value, and the energy E at the moment is recorded2[0]The grating motor obtains a signal once every step when running towards the direction with large wavelength on the curve, and the energy is E2[0]、E2[1]…E2[interval]At the moment, the raster motor walks an interval step to the right, and meanwhile, the memory space E is reserved2[interval]Filled by the energy value;
s212: continuing to operate in the direction with large wavelength, operating to obtain energy at the point by one step, and using the energy and E2(0) Making a difference, err ═ energy-E2(0) If err is smaller than the minimum difference value errMin, the judgment is finished, and the right half peak is not established; otherwise, executing S213;
s213: to the memory space E2[interval+1]To shift to the right, E2[0]=E2[1],E2[1]=E2[2],…E2[interval-1]=E2[interval],E2[interval]Energy; will be E2[0]Has a value of E2[1]Covering, adding energy to memory space end E2[interval]And the positions of the energy values of other spaces in the storage space are all shifted to the right by one grid;
s214: and continuing to execute the steps S212 and S213 until the errs are more than or equal to errMin after the repetition of the cntMin times, and then the right half peak is established.
Further, in the steps S201 and S211, E1[0]Value of (A) and E2[0]Are equal in value.
Further, the number of times set in the step S204 is equal to the number of times set in the step S214.
The invention also provides a system for searching and confirming the grating characteristic peak in the atomic absorption spectrophotometer, which adopts the method for searching and confirming the grating characteristic peak to search and confirm the grating characteristic peak, and comprises the following steps:
the energy searching module is used for judging whether continuously set points of signals acquired by the grating motor in the scanning process exceed a minimum energy threshold value or not, recording the position of the grating motor corresponding to the maximum value of the signals after judging that the continuously set points exceed the minimum energy threshold value, and then operating the grating motor to the position of the grating motor corresponding to the maximum value 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 a right half peak respectively confirmation mode after the energy meeting the characteristic peak is found, 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 that a grating motor searches the characteristic peak in a specific wavelength range, the influence of a noise signal can be avoided, whether the signal meets the requirement of the characteristic peak or not is confirmed, the problems that the judgment mode of the grating characteristic peak in the existing atomic absorption spectrophotometer is influenced by noise to cause wrong judgment and detection accuracy is influenced are solved, the problems that energy points are too many and memory space occupation 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 searching in an embodiment of the present 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, the wavelength is increased on the abscissa, and the position of the grating motor is in direct proportion to 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 the left half-peak identification of characteristic spectral lines in an embodiment of the present invention (in the diagram, the ordinate represents an energy value E, the abscissa represents a position of a grating motor corresponding to a wavelength, each point corresponds to a wavelength, the wavelength increases on the abscissa, and the position of the grating motor is in a direct proportional relationship with the increase of the wavelength);
FIG. 4 is a schematic diagram of a characteristic spectral line half-peak identification process in an embodiment of the present invention.
Detailed Description
The following examples are given for the detailed implementation and specific operation of the present invention, but the scope of the present invention is not limited to the following examples.
The embodiment provides a technical scheme: the grating characteristic peak searching and confirming method in the atomic absorption spectrophotometer mainly comprises the following steps:
s1: seeking energy
As shown in fig. 1 and 2, in order to avoid the influence of noise, it is specified that the minimum energy threshold value min which meets the characteristic spectral line and the grating motor which acquires signals in the scanning process can exceed the threshold value min continuously at numMin points (in order to avoid erroneous judgment caused by existence of isolated high-energy points, judgment of numMin is added), in the above signal acquisition process, after judging that the continuous numMin points can exceed the threshold value min points continuously, the position of the grating motor corresponding to the signal maximum value point is recorded, and then the grating motor is operated to the energy maximum value position posX (namely, the position of the grating motor corresponding to the signal maximum value point);
s2: characteristic line identification
As shown in fig. 3 and 4, in the search process of 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 or not needs further verification.
In this step, it is verified that a left half peak and a right half peak are respectively confirmed, and the left half peak confirming step specifically includes the following steps:
s201: applying for a memory space E [ interval +1], recording the energy E [0] at the moment by a grating motor at an energy maximum value position posX, operating towards the direction (left side) with small wavelength on a curve, acquiring signals once by the grating motor every step, wherein the energy is respectively E [0] and E [1] … E [ interval ], and the grating motor has moved an interval step towards the left at the moment and the memory space E [ interval ] is filled with an energy value;
s202: continuing to operate in the direction (left side) with small wavelength, operating to obtain the energy at the point by one step, and making a difference between the energy and E (0), wherein err is equal to energy-E (0), if the err is smaller than the minimum difference errMin, ending the judgment, and the left half peak is not established; otherwise, executing S203;
s203: shifting a 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 memory space end E interval, and the positions of the energy values of other spaces in the memory space are all moved to the left by one;
s204: and continuing to execute the steps S202 and S203 until the errs are greater than or equal to errMin after the repetition of the cntMin times, and then the left half peak is established.
The step of confirming the right half peak 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 position posX of the maximum energy value, running towards the direction with large wavelength on the curve (right side), acquiring signals once when the grating motor walks each step, wherein the energy is respectively E [0] and E [1] … E [ interval ], and the grating motor walks rightwards at the moment by interval steps and the memory space E [ interval ] is filled with the energy value;
s212: continuing to operate in the direction (right side) with large wavelength, operating to obtain the energy at the point by one step, and making a difference between the energy and E (0), wherein err is equal to energy-E (0), if the err is smaller than the minimum difference errMin, ending the judgment, and the right half peak is not established; otherwise, executing S213;
s213: shifting a memory space E [ interval +1] to the right, E [0] ═ E [1], E [1] ═ E [2], … E [ interval-1] ═ E [ interval ], E [ interval ] ═ energy; in the step, the original value of E [0] (covered by E [1 ]) is abandoned, energy is added to the end E [ interval ] of the memory space, and the positions of the energy values of other spaces in the memory space are all moved to the right by one grid;
s214: and continuing to execute the steps S212 and S213 until the errs are more than or equal to errMin after the repetition of the cntMin times, and then the right half peak is established.
It should be noted that, in this embodiment, the specific values of numMin, interval, minimum energy threshold mine, minimum difference errMin, and cntMin are all practical, and are different for different models/types of atomic absorption spectrophotometers.
To sum up, in the method for searching and confirming a grating characteristic peak in an atomic absorption spectrophotometer according to the above embodiment, in the process of searching a characteristic peak in a specific wavelength range by a grating motor, the influence of a noise signal can be avoided, and whether the signal meets the requirement of the characteristic peak or not is confirmed, so that the problems that the judgment mode of the grating characteristic peak in the existing atomic absorption spectrophotometer is influenced by the noise to cause wrong judgment and influence the detection accuracy are solved, the memory space occupation is very small, the energy values of all positions do not need to be recorded, and the method is worthy of popularization and use.
Although embodiments of the present invention have been shown and described above, it is understood that the above embodiments are exemplary and should not be construed as limiting the present invention, and that variations, modifications, substitutions and alterations can be made to the above embodiments by those of ordinary skill in the art within the scope of the present invention.
Claims (7)
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: seeking energy
Judging whether continuous set points of signals acquired by a grating motor in the scanning process exceed a minimum energy threshold value or not, recording the position of the grating motor corresponding to the maximum value of the signals after judging that the continuous set points exceed the minimum energy threshold value, and operating the grating motor to the position of the grating motor corresponding to the maximum value of the signals, namely the position of the maximum value of the energy;
s2: characteristic line identification
And after the energy meeting the characteristic peak is found, judging the energy by adopting a left half peak and a right half peak respectively confirmation mode, judging whether the energy meets the curve confirmation condition of the characteristic peak, and confirming to obtain the characteristic spectral line after the left half peak and the right half peak both meet the curve confirmation condition of the characteristic peak.
2. The method for searching and confirming a grating characteristic peak in an atomic absorption spectrophotometer according to claim 1, wherein: in step S1, the minimum energy threshold is a preset minimum energy threshold that satisfies the characteristic spectral line.
3. The method for searching and confirming a grating characteristic peak in an atomic absorption spectrophotometer according to claim 2, characterized in that: in step S2, the process of identifying the left half peak of the characteristic spectral line includes the following steps:
s201: application for memory space E1[interval+1]The grating motor is at the position of the maximum energy value, and the energy E at the moment is recorded1[0]The grating motor operates in the direction with small wavelength on the curve, and acquires a signal once every step, wherein the energy is E1[0]、E1[1]…E1[interval]At the moment, the raster motor walks an interval step leftwards, and meanwhile, the memory space E is reserved1[interval]Filled by the energy value;
s202: the grating motor continuously runs in the direction with small wavelength, and the grating motor walks by one step to obtain the energy at the pointUsing this energy and E1(0) Obtaining the energy difference value err ═ energy-E by difference1(0) If the energy difference value err is smaller than the minimum difference value errMin, the judgment is finished, and the left half peak is not established; otherwise, executing S203;
s203: to the memory space E1[interval+1]Shift to the left, E1[0]=E1[1],E1[1]=E1[2],…E1[interval-1]=E1[interval],E1[interval]Energy; will be E1[0]Has a value of E1[1]Covering, energy added to memory space end E1[interval]The positions of the energy values of other spaces in the memory space are all moved to the left by one grid;
s204: and continuing to execute the steps S202 and S203 until the repeated setting of the secondary energy difference value err is larger than or equal to the minimum difference value errMin, and then the left half peak is established.
4. The method for searching and confirming a grating characteristic peak in an atomic absorption spectrophotometer according to claim 3, characterized in that: in step S2, the process of identifying the right half peak of the characteristic spectrum line includes the following steps:
s211: application for memory space E2[interval+1]The grating motor is at the position of the maximum energy value, and the energy E at the moment is recorded2[0]The grating motor obtains a signal once every step when running towards the direction with large wavelength on the curve, and the energy is E2[0]、E2[1]…E2[interval]At the moment, the raster motor walks an interval step to the right, and meanwhile, the memory space E is reserved2[interval]Filled by the energy value;
s212: continuing to operate in the direction with large wavelength, operating to obtain energy at the point by one step, and using the energy and E2(0) Making a difference, err ═ energy-E2(0) If err is smaller than the minimum difference value errMin, the judgment is finished, and the right half peak is not established; otherwise, executing S213;
s213: to the memory space E2[interval+1]To shift to the right, E2[0]=E2[1],E2[1]=E2[2],…E2[interval-1]=E2[interval],E2[interval]Energy; will be E2[0]Has a value of E2[1]Covering, adding energy to memory space end E2[interval]The positions of the energy values of other spaces in the storage space are all shifted to the right by one grid;
s214: and continuing to execute the steps S212 and S213 until the errs are more than or equal to errMin after the repetition of the cntMin times, and then the right half peak is established.
5. The method for searching and confirming a grating characteristic peak in an atomic absorption spectrophotometer according to claim 4, wherein: in the steps S201 and S211, E1[0]Value of (A) and E2[0]Equal values of (a) are signal maxima.
6. The method for searching and confirming a grating characteristic peak in an atomic absorption spectrophotometer according to claim 5, wherein: the number of times set in step S204 is equal to the number of times set in step S214.
7. Grating characteristic peak searching and confirming system in atomic absorption spectrophotometer is characterized in that: the method for searching and confirming the grating characteristic peak according to claim 6, comprising:
the energy searching module is used for judging whether continuously set points of signals acquired by the grating motor in the scanning process exceed a minimum energy threshold value or not, recording the position of the grating motor corresponding to the maximum value of the signals after judging that the continuously set points exceed the minimum energy threshold value, and then operating the grating motor to the position of the grating motor corresponding to the maximum value 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 a right half peak respectively confirmation mode after the energy meeting the characteristic peak is found, 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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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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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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