Summary of the invention
The object of the invention is to: solve in prior art the method only applying slope threshold value judgement and identify spectrum peak starting point and terminal, identify the inaccurate technical matters of terminal, a kind of spectrum peak terminal method of adjustment is provided.
One spectrum peak provided by the invention terminal method of adjustment, comprises the steps:
Step S401, determines spectrum peak intermediate point;
Step S402, judges whether the slope value of the data point in the data group after described spectrum peak intermediate point occurs reversion successively, if there is reversion, using first data point after last data point before reversion or reversion as spectrum peak terminal;
S403, if not there is reversion, the average gradient absolute value searching data point in group is less than the first data group of predetermined slope threshold value, and selects arbitrary data point in described first data group as the first data point;
S404, the average gradient absolute value searching data point in the group after described first data group is greater than the second data group of predetermined slope threshold value, and selects arbitrary data point in described second data group as the second data point;
S405, all slope absolute values searched between described first data point and described second data point are less than the data point of predetermined slope threshold value, and wherein minimum data point is defined as spectrum peak terminal, in described data group, the number of data point is at least 1.
Spectrum peak disclosed by the invention terminal method of adjustment, solves in prior art the method only applying slope threshold value judgement and identifies spectrum peak terminal, causes spectrum peak terminal to determine inaccurate technical matters, can determine spectrum peak terminal quickly and accurately.
As one citing, described spectrum peak intermediate point is spectrum peak maximum.
After determining spectrum peak maximum, just can apply spectrum peak disclosed by the invention terminal method of adjustment and identify spectrum peak terminal, this method identification spectrum peak fast and accurately.
As one citing, described spectrum peak intermediate point is turned right a little in spectrum peak.
The method first utilizing slope threshold value to judge determines turning right a little of spectrum peak, then applies method identification of the present invention spectrum peak terminal, can improve recognition efficiency further.
As one citing, in step S403, by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the first data point.
Data in described data group are many, directly slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the first data point, the time of spectrum peak terminal identification can be reduced.
As one citing, in step s 404, by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the second data point.
Slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the second data point, makes the position of composing peak terminal more accurate.
Another object of the present invention is to: solve the method only applying slope threshold value in prior art and identify spectrum peak starting point and terminal, identify the inaccurate technical matters of terminal, a kind of chromatographic work station with spectrum peak terminal adjustment function be provided, comprise:
Spectrum peak intermediate point searches unit, for determining spectrum peak intermediate point;
Slope value reversion detecting unit, for judging whether the slope value of the data point in the data group after described spectrum peak intermediate point occurs reversion successively, if there is reversion, using first data point after last data point before reversion or reversion as spectrum peak terminal;
First data point searches unit, if for not there is reversion, the average gradient absolute value searching data point in group is less than the first data group of predetermined slope threshold value, and selects arbitrary data point in described first data group as the first data point;
Second data point searches unit, and the average gradient absolute value for searching data point in the group after described first data group is greater than the second data group of predetermined slope threshold value, and selects arbitrary data point in described second data group as the second data point;
Terminal confirmation unit, all slope absolute values searched between described first data point and described second data point are less than the data point of predetermined slope threshold value, wherein minimum data point are defined as spectrum peak terminal.
As one citing, described spectrum peak intermediate point searches unit, for searching spectrum peak maximum.
As one citing, described spectrum peak intermediate point searches unit, turns right a little for searching spectrum peak.
As one citing, described first data point searches unit, and by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the first data point.
As one citing, described second data point searches unit, and by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the second data point.
Embodiment
Below in conjunction with accompanying drawing, specific embodiments of the present invention are further described in detail.
With reference to Fig. 4, show a kind of method flow diagram composing peak terminal method of adjustment embodiment of the present invention, comprise the steps:
Step S401, determines spectrum peak intermediate point;
In this step, first apply the method that in prior art, slope threshold value judges and find out the intermediate point composing peak.In the present embodiment, the intermediate point composing peak is chosen for the summit at spectrum peak.
As other citing, the intermediate point at described spectrum peak also can choose there is flex point or chooses spectrum peak maximum and spectrum peak and having any point between flex point as intermediate point of spectrum peak.
As other citing, determine that spectrum peak intermediate point also can adopt other prior aries to realize.
Step S402, judges whether the slope value of the data point in the data group after described spectrum peak intermediate point occurs reversion successively, if there is reversion, using first data point after last data point before reversion or reversion as spectrum peak terminal;
In this step, slope value occur reversion refer to slope value from negative value become on the occasion of.In the present embodiment, data point number in each data group is 3, and alternately cover grouping, described alternately covering grouping refers to: 1st, 2,3 data points are first group, 2nd, 3,4 data points are second group, 3rd, 4,5 data points are the 3rd group, so alternately cover circulation grouping.Choosing every 3 data points is one group, makes that spectrum peak terminal regulated efficiency is high, terminal confirms accurately.
As other citing, the data point number in described each data group also can be 1,2,4 etc.
As other citing, the data point number N in described each data group can according to the formula of prior art:
N=(PW*SR)/15 calculates, in formula: PW is the peak width at spectrum peak, and SR is sampling rate.
As other citing, each data group also can adopt other group technologies, and such as the 1st, 2,3 data point is first group, and the 3rd, 4,5 data point is second group; Or 1st, 2,3 data points are first group, the 4th, 5,6 data point is second group.
As other citing, there is reversion in described slope value, also can refer to that slope value becomes 0 from negative value.
S403, if not there is reversion, the average gradient absolute value searching data point in group is less than the first data group of predetermined slope threshold value, and selects arbitrary data point in described first data group as the first data point;
In this step, as one citing, by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the first data point.Data in described data group are many, directly slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the first data point, the time of spectrum peak terminal identification can be reduced.
S404, the average gradient absolute value searching data point in the group after described first data group is greater than the second data group of predetermined slope threshold value, and selects arbitrary data point in described second data group as the second data point;
In this step, as one citing, by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the second data point.Slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the second data point, makes the position of composing peak terminal more accurate.
S405, all slope absolute values searched between described first data point and described second data point are less than the data point of predetermined slope threshold value, wherein minimum data point are defined as spectrum peak terminal.
As one citing, in this step, all slope absolute values searched between described first data point and described second data point are less than the data point of predetermined slope threshold value, wherein absorbency Y are worth minimum data point and are defined as spectrum peak terminal.Absorbency Y refers to that light is by the incident intensity before solution or a certain material and this light denary logarithm by the transmitted intensity ratio after solution or material, and the unit of absorbance is Au, mAu.
The spectrum peak terminal method of adjustment of the present embodiment, solves in prior art the method only applying slope threshold value judgement and identifies spectrum peak terminal, causes spectrum peak terminal to determine inaccurate technical matters, can determine spectrum peak terminal quickly and accurately.
With reference to Fig. 5, show a kind of method flow diagram composing peak terminal method of adjustment preferred embodiment of the present invention, comprise the steps:
Step S501, is set as 3 by the number of data point in data group, searches for from i-th data point;
Step S502, judges that the slope of each data point in data group is with or without reversion, if having, performs step S510, if not, performs step S503;
Step S503, calculates the average gradient of data point in data group;
Step S504, judges whether the absolute value of the average gradient of data point in data group is less than predetermined slope threshold value, if not, performs step S511, if so, performs step S505;
Step S505, judges whether the first data point exists, and if so, performs step S512, if not, performs step S508;
Step S506, by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the first data point;
Step S507, judges whether the absolute value of the average gradient of data point in data group is greater than predetermined slope threshold value, if not, performs step S512, if so, performs step S508;
Step S508, by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the second data point;
Step S509, all slope absolute values searched between described first data point and described second data point are less than the data point of predetermined slope threshold value, wherein minimum data point are defined as spectrum peak terminal;
Step S510, using the terminal of the data point of first after reversion as spectrum peak;
Step S511, judges whether the first data point exists, and if so, performs step S507, if not, performs step S512;
Step S512, i=i+1, and return step S502.
With reference to Fig. 6, show a kind of structural representation with the embodiment of the chromatographic work station 600 of spectrum peak terminal adjustment function of the present invention.Chromatographic work station 600 comprises:
Spectrum peak intermediate point searches unit 601, for determining spectrum peak intermediate point;
Slope value reversion detecting unit 602, for judging whether the slope value of the data point in the data group after described spectrum peak intermediate point occurs reversion successively, if there is reversion, using first data point after last data point before reversion or reversion as spectrum peak terminal;
First data point searches unit 603, if for not there is reversion, the average gradient absolute value searching data point in group is less than the first data group of predetermined slope threshold value, and selects arbitrary data point in described first data group as the first data point;
Second data point searches unit 604, and the average gradient absolute value for searching data point in the group after described first data group is greater than the second data group of predetermined slope threshold value, and selects arbitrary data point in described second data group as the second data point;
Terminal confirmation unit 605, all slope absolute values searched between described first data point and described second data point are less than the data point of predetermined slope threshold value, wherein minimum data point are defined as spectrum peak terminal.
As one citing, described spectrum peak intermediate point searches unit 601, for searching spectrum peak maximum.
As one citing, described spectrum peak intermediate point searches unit 601, turns right a little for searching spectrum peak.
As one citing, described first data point searches unit 603, and by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the first data point.
As one citing, described second data point searches unit 604, and by described data group, slope absolute value is less than predetermined slope threshold value and minimum data point is defined as the second data point.
As one citing, described chromatographic work station 600 performs each step according to the process flow diagram shown in Fig. 5.
Above-describedly be only the preferred embodiments of the present invention; be understood that; the explanation of above preferred embodiment just understands method of the present invention and core concept thereof for helping; the protection domain be not intended to limit the present invention; all any amendments, equivalent replacement etc. made within thought of the present invention and principle, all should be included within protection scope of the present invention.