CN114384028A - Peak drift correction method for continuous flow analyzer - Google Patents
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- 238000000034 method Methods 0.000 title claims abstract description 23
- 238000002835 absorbance Methods 0.000 claims abstract description 105
- 238000004140 cleaning Methods 0.000 claims abstract description 10
- 238000005406 washing Methods 0.000 claims description 8
- 239000000523 sample Substances 0.000 description 114
- UCKMPCXJQFINFW-UHFFFAOYSA-N Sulphide Chemical compound [S-2] UCKMPCXJQFINFW-UHFFFAOYSA-N 0.000 description 8
- 239000003153 chemical reaction reagent Substances 0.000 description 8
- 238000006243 chemical reaction Methods 0.000 description 5
- 230000007613 environmental effect Effects 0.000 description 3
- 238000010586 diagram Methods 0.000 description 2
- 230000004075 alteration Effects 0.000 description 1
- XKMRRTOUMJRJIA-UHFFFAOYSA-N ammonia nh3 Chemical compound N.N XKMRRTOUMJRJIA-UHFFFAOYSA-N 0.000 description 1
- 239000012496 blank sample Substances 0.000 description 1
- 238000001514 detection method Methods 0.000 description 1
- 230000000694 effects Effects 0.000 description 1
- 238000012986 modification Methods 0.000 description 1
- 230000004048 modification Effects 0.000 description 1
- 230000002572 peristaltic effect Effects 0.000 description 1
- 238000006467 substitution reaction Methods 0.000 description 1
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- G—PHYSICS
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- 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
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- 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
- G01N21/27—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands using photo-electric detection ; circuits for computing concentration
- G01N21/274—Calibration, base line adjustment, drift correction
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Abstract
The invention discloses a peak drift correction method for a continuous flow analyzer, which belongs to the technical field of peak drift correction and comprises the following steps: step 1, updating the absorbance of a target sample according to the absorbance baseline correction results of a previous cleaning sample and a next cleaning sample of the target sample by defining a baseline correction method; and 2, calculating a peak height correction algorithm by using the absorbance of the drifting sample before and after the target sample, and updating the absorbance of the target sample. According to the invention, the absorbance of the target sample can be more accurately measured under the condition of baseline drift by means of peak drift correction, so that the concentration of an unknown sample can be more accurately calculated, and the method is worthy of popularization and application.
Description
Technical Field
The invention relates to the technical field of peak drift correction, in particular to a peak drift correction method for a continuous flow analyzer.
Background
In the Continuous Flow Analyzer (CFA), while a reagent and a sample are pumped into a reaction line by a peristaltic pump during on-line analysis, the reagent and the sample react in the reaction line, but since the reagent and the sample in the reaction line of the continuous flow analyzer are in a continuous flow state, the reagent and the sample react while flowing, and finally reach a detector for detection.
In this process, since the reaction of the chemical reagent and the detector are influenced by the environmental temperature, the reagent condition, etc., the baseline and the peak shift cause the absorbance to have an error from the actual value, thereby influencing the accuracy of the continuous flow analyzer, and for this reason, a peak shift correction method for the continuous flow analyzer is proposed.
Disclosure of Invention
The technical problem to be solved by the invention is as follows: how to solve the problem that the baseline drift causes larger error between the absorbance and the actual value due to the influence of environmental factors such as environmental temperature, reagent conditions and the like on the reaction of a chemical reagent, a detector and the like, and provides a peak drift correction method for a continuous flow analyzer.
The invention solves the technical problems through the following technical scheme, and the invention comprises the following steps:
s1: baseline drift correction
Updating the absorbance of the target sample according to the absorbance baseline correction results of the previous and the next cleaning samples of the target sample;
s2: peak drift correction
And updating the absorbance of the target sample by using an absorbance peak drift correction formula of drift samples before and after the target sample.
Further, the step S1 specifically includes the following steps:
s11: acquiring the absorbance of the previous cleaning sample and the absorbance of the next cleaning sample of the target sample n, and the absorbance of the target sample n;
s12: marking n as the number of the target sample, U (n) as the absorbance of the target sample n before correction, and U' (n) as the absorbance of the target sample n after baseline drift correction; a is the number of the previous washing sample of the target sample n, and W (a) is the absorbance of the washing sample with the number a; b is the number of the next washing sample of the target sample n, W (b) is the absorbance of the washing sample with the number of b, and the baseline drift correction is carried out on the absorbance of the target sample n according to the following formula:
s13: if only one wash sample is present before and after the target sample n, the absorbance of the target sample n is not corrected for the baseline, i.e., U' (n) ═ U (n).
Further, in the step S11, the absorbance of the previous wash sample and the absorbance of the next wash sample of the target sample n, and the absorbance of the target sample n are measured by the continuous flow analyzer.
Further, the step S2 specifically includes the following steps:
s21: acquiring the absorbance of a target sample n after baseline drift correction, and the absorbance of a previous drift sample and a next drift sample after baseline drift correction;
s22: marking n as the number of the target sample, U' (n) as the absorbance of the target sample n after baseline drift correction, and U "(n) as the absorbance of the target sample n after baseline drift correction and peak drift correction; a is the former drift sample number of the target sample n, and D (a) is the absorbance of the drift sample number a after baseline drift correction; b is the number of the later drift sample of the target sample n, D (b) is the absorbance of the drift sample with the number of b after baseline drift correction, D (1) is the absorbance of the first drift sample after baseline drift correction, and the peak drift correction is carried out on the absorbance of the target sample n by adopting the following formula:
s23: if there is only one drift sample before and after the target sample n, the absorbance of the target sample is not corrected for the peak drift, i.e., U ″ (n) is U (n).
Further, in the step S21, the absorbance of the target sample n after the baseline shift correction, and the absorbance of the previous shift sample and the next shift sample after the baseline shift correction, that is, the baseline shift correction in the step S1, are obtained.
Compared with the prior art, the invention has the following advantages: according to the peak drift correction method for the continuous flow analyzer, the absorbance of the target sample can be measured more accurately under the condition of baseline drift by a peak drift correction mode, so that the concentration of an unknown sample can be calculated more accurately, and the method is worthy of popularization and application.
Drawings
FIG. 1 is a schematic diagram of baseline wander correction in accordance with one embodiment of the present invention;
FIG. 2 is a schematic diagram of peak shift correction according to an embodiment of the present invention;
FIG. 3 is a graph showing the data of the absorbance results (mass concentration of 0.6ppm) of an uncorrected sulfide target sample in example II of the present invention;
FIG. 4 is a graph of absorbance results data (mass concentration of 0.6ppm) for a sulfide target sample corrected for baseline drift in example two of the present invention;
FIG. 5 is a data graph (mass concentration of 0.6ppm) showing the absorbance results of a sulfide target sample subjected to peak shift correction in example two of the present invention;
FIG. 6 is a graph of absorbance results (mass concentration of 0.6ppm) for a sulfide target sample that was subjected to baseline drift correction and peak drift correction in example two 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.
Example one
The embodiment provides a technical scheme: a peak shift correction method for a continuous flow analyzer, comprising the steps of:
step 1: baseline drift correction
Updating the absorbance of the target sample according to the absorbance baseline correction results of the previous cleaning sample and the next cleaning sample of the target sample;
step 2: peak drift correction
And (3) calculating a peak height correction method by using the absorbance of the drifting sample before and after the target sample, and updating the absorbance of the target sample.
As shown in fig. 1, step 1 comprises the following steps:
step 1.1: the absorbance of the previous wash sample and the absorbance of the next wash sample of the target sample n, and the absorbance of the target sample n (i.e., u (n)) are known, wherein the absorbance of the previous wash sample, the absorbance of the next wash sample, and the absorbance of the target sample n are measured by a continuous flow analyzer.
Specifically, the absorbance refers to the logarithm of the ratio of the incident light intensity before the light passes through the solution to the transmitted light intensity after the light passes through the solution with the base 10 (i.e., lg (I0/I1)), wherein I0 is the incident light intensity, I1 is the transmitted light intensity, and in the actual operation process, a proper wavelength is selected, for example, 660nm is selected when ammonia nitrogen is measured, and one path of reference light intensity can be increased.
In this example, a blank sample is used as a wash sample for drift baseline calibration.
Step 1.2: note that n is the number of the target sample, U (n) is the absorbance of the target sample n before correction (i.e., the absorbance of the target sample n obtained in step 1.1), and U' (n) is the absorbance of the target sample n after baseline drift correction; a is the number of the previous wash sample of the target sample n, and w (a) is the absorbance of the previous wash sample with the number of the wash sample a (i.e. the absorbance of the previous wash sample obtained in step 1.1); b is the number of the next wash sample of the target sample n, and w (b) is the absorbance of the wash sample with number b (i.e. the absorbance of the next wash sample obtained in step 1.1);
the baseline drift correction formula is as follows:
and (4) carrying out baseline drift correction on the absorbance of the target sample n according to the formula.
Step 1.3: if only one wash sample is present before and after the target sample n, the absorbance of the target sample n is not corrected for the baseline, i.e., U' (n) ═ U (n).
As shown in fig. 2, the step 2 includes the following steps:
step 2.1: and (3) knowing the absorbance of the target sample n after baseline drift correction and the absorbance of the previous drift sample and the next drift sample after baseline drift correction, wherein the absorbance after baseline drift correction is obtained by the baseline drift correction mode in the step 1.
In this embodiment, the drift sample is calibrated by selecting a standard with a suitable concentration, such as 70% of the maximum concentration of the standard.
Step 2.2: marking n as the number of the target sample, U' (n) as the absorbance of the target sample n after baseline drift correction, and U "(n) as the absorbance of the target sample n after baseline drift correction and peak drift correction; a is the former drift sample number of the target sample n, and d (a) is the absorbance of the drift sample number a after baseline drift correction (i.e. the absorbance of the former drift sample obtained in step 2.1 after baseline drift correction); b is the number of the next drift sample of the target sample n, D (b) is the number of the drift sample b, which is the absorbance of the next drift sample obtained in step 2.1 after baseline drift correction (i.e. the absorbance of the next drift sample obtained in step 2.1 after baseline drift correction), and D (1) is the absorbance of the first drift sample after baseline drift correction;
the peak shift correction formula is as follows:
and (4) carrying out peak drift correction on the absorbance of the target sample n according to the formula.
Step 2.3: if there is only one drift sample before and after the target sample n, the absorbance of the target sample is not corrected for the peak drift, i.e., U ″ (n) is U (n).
Example two
In this example, the absorbance of the sulfide target sample was corrected by the correction method of example one and compared with the uncorrected effect data, which are detailed in tables 1 and 2.
TABLE 1 Absorbance data comparison Table (mass concentration of 0.6ppm) for sulfide target samples
TABLE 2 Absorbance data comparison Table (mass concentration of 1.6ppm) for sulfide target samples
As shown in FIGS. 3 to 6, the data of the absorbance results of the sulfide target sample in this example are shown (mass concentration is 0.6 ppm).
From the above table and data, the method can more accurately measure the absorbance of the target sample under the condition of baseline drift by means of peak drift correction, thereby more accurately calculating the concentration of the unknown sample.
In summary, the peak shift correction method for the continuous flow analyzer according to the above embodiment can measure the absorbance of the target sample more accurately in the case of the baseline shift by the peak shift correction method, so as to calculate the concentration of the unknown sample more accurately, and is worth being popularized and used.
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 (5)
1. A peak shift correction method for a continuous flow analyzer, comprising the steps of:
s1: baseline drift correction
Updating the absorbance of the target sample according to the absorbance baseline correction results of the previous and the next cleaning samples of the target sample;
s2: peak drift correction
And updating the absorbance of the target sample by using an absorbance peak drift correction formula of drift samples before and after the target sample.
2. A peak shift correction method for a continuous flow analyzer, in accordance with claim 1, wherein: the step S1 specifically includes the following steps:
s11: acquiring the absorbance of the previous cleaning sample and the absorbance of the next cleaning sample of the target sample n, and the absorbance of the target sample n;
s12: marking n as the number of the target sample, U (n) as the absorbance of the target sample n before correction, and U' (n) as the absorbance of the target sample n after baseline drift correction; a is the number of the previous washing sample of the target sample n, and W (a) is the absorbance of the washing sample with the number a; b is the number of the next washing sample of the target sample n, W (b) is the absorbance of the washing sample with the number of b, and the baseline drift correction is carried out on the absorbance of the target sample n according to the following formula:
s13: if only one wash sample is present before and after the target sample n, the absorbance of the target sample n is not corrected for the baseline, i.e., U' (n) ═ U (n).
3. A peak shift correction method for a continuous flow analyzer, in accordance with claim 2, wherein: in step S11, the absorbance of the previous wash sample and the absorbance of the next wash sample of the target sample n, and the absorbance of the target sample n are measured by the continuous flow analyzer.
4. A peak shift correction method for a continuous flow analyzer according to claim 2 or 3, characterized in that: the step S2 specifically includes the following steps:
s21: acquiring the absorbance of a target sample n after baseline drift correction, and the absorbance of a previous drift sample and a next drift sample after baseline drift correction;
s22: marking n as the number of the target sample, U' (n) as the absorbance of the target sample n after baseline drift correction, and U "(n) as the absorbance of the target sample n after baseline drift correction and peak drift correction; a is the former drift sample number of the target sample n, and D (a) is the absorbance of the drift sample number a after baseline drift correction; b is the number of the later drift sample of the target sample n, D (b) is the absorbance of the drift sample with the number of b after baseline drift correction, D (1) is the absorbance of the first drift sample after baseline drift correction, and the peak drift correction is carried out on the absorbance of the target sample n by adopting the following formula:
s23: if there is only one drift sample before and after the target sample n, the absorbance of the target sample is not corrected for the peak drift, i.e., U ″ (n) is U (n).
5. The peak shift correction method for a continuous flow analyzer according to claim 4, wherein: in step S21, the absorbance of the target sample n after the baseline drift correction, and the absorbance of the previous drift sample and the next drift sample after the baseline drift correction, that is, the absorbance after the baseline drift correction in step S1, are obtained.
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