CN104634906A - Baseline adjusting method of resolved peaks, and chromatographic workstation with baseline adjusting function - Google Patents
Baseline adjusting method of resolved peaks, and chromatographic workstation with baseline adjusting function Download PDFInfo
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Abstract
The invention provides a baseline adjusting method of resolved peaks, and a chromatographic workstation with a baseline adjusting function. The method comprises the following steps: 1, connecting the starting points and the falling points of the resolved peaks to forma preparatory baseline; 2, determining whether a baseline exists or not, executing step 2 if so, and executing step 4 if not; 3, searching penetrating points on the resolved peaks, using points from a first end point of the resolved peaks to points close to the top point of the resolved peaks point by point as experiment points if a penetrating point exists, and connecting the experiment points and the second end point of the resolved peaks to form a new preparatory baseline until no baseline penetrates, wherein the first end point is a starting point and the second end point is a falling point, or the first end point is a falling point and the second end point is a starting point; and 4, using the newly formed preparatory baseline as an adjusted actual baseline. The method and the workstation have the advantages of reduction of the error in the quantitative analysis of the resolved peaks of a sample to be measured, improvement of the accuracy of quantitative analysis, simplicity and labor saving.
Description
Technical field
The present invention relates to thermometrically technical field, particularly relate to a kind of baseline adjusting method of detached peaks and a kind of chromatographic work station with baseline adjustment function.
Background technology
The chromatograph of current industry all provides chromatographic work station, chromatographic work station is equivalent to a host computer, complete the control to slave computer (i.e. chromatograph) on the one hand, analyzing and processing is carried out to the chromatographic data that slave computer collects, to reach the quantitative test to testing sample on the other hand.
The quantitative test of testing sample is depended on to peak area or the peak height at sample correspondence spectrum peak.The peak area at spectrum peak refers to the area that spectrum peak and baseline surround, and the peak height at spectrum peak refers to the distance of spectrum peak maximum to baseline.So the position of baseline will directly affect peak area and the peak height at spectrum peak and then the accuracy of impact to testing sample quantitative test, accurately determine that baseline is most important.
Divide according to degree of separation, spectrum peak generally includes detached peaks and merges this two type of peak, and detached peaks refers to that the spectrum peak that two peak-to-peak degree of separation are greater than 1.5, detached peaks are single spectrum peak; Merge peak and refer to the spectrum peak that peak and peak-to-peak degree of separation are less than 1.5, merge peak and comprise two or more spectrum peak.Degree of separation refers to the separation degree at two adjacent spectrum peaks, is chemical analysis field proper noun, also claims resolution.Divide according to baseline position, spectrum peak generally includes posivtive spike and this two type of negative peak, and the summit of posivtive spike is more than baseline, and the summit of negative peak is below baseline.
For detached peaks, as shown in Fig. 1 (a), it is the spectrogram schematic diagram of positive separation peak (namely detached peaks is posivtive spike); As shown in Fig. 1 (b), be the spectrogram schematic diagram of negative detached peaks (namely detached peaks is negative peak), spectrum peak and baseline surround region area be exactly the peak area of detached peaks.Existing chromatographic work station generally automatically determines baseline after completing spectrum peak identification, as shown in Figure 1 (a) and Fig 1 (b) shows, connect the starting point A of detached peaks and drop point (also known as terminal) B and directly form baseline, the detached peaks shown in Fig. 1 (a) He Fig. 1 (b) and baseline do not exist and run through.Run through if there is baseline, workstation does not adjust automatically, needs laboratory technician manually to adjust.As shown in Fig. 2 (a) He Fig. 2 (b), it is schematic diagram when detached peaks and baseline run through.When baseline runs through, the position of some data point of positive separation peak spectrogram is lower than the position of preparing baseline, the position of some data point of negative detached peaks spectrogram is higher than the position of preparing baseline, on spectrogram, baseline and detached peaks have other intersection points except starting point A and drop point B, as intersection point C1, C2 in Fig. 2 (a) and Fig. 2 (b), intersection point C1, C2 are referred to as penetration.
At least there is following defect in said method:
1, after chromatographic work station determines baseline automatically, do not adjust if there is baseline runs through, peak area and the peak height at the spectrum peak so calculated are inaccurate, and then the accuracy of impact to testing sample quantitative test.
2, after running through if there is baseline, manually carry out baseline adjustment by laboratory technician, on the one hand, increase a manual step, waste time and energy, bring certain trouble to the quantitative test of laboratory technician; On the other hand, manually determine that the position of composing the starting point at peak and drop point is inaccurate, be certain to the error existed to a certain degree, finally also can have influence on the accuracy of quantitative test.
Summary of the invention
Technical matters to be solved by this invention is to provide a kind of baseline adjusting method of detached peaks and a kind of chromatographic work station with baseline adjustment function, can reduce error when carrying out quantitative test to the detached peaks of testing sample, improves the accuracy of quantitative test; Meanwhile, the problem that manual adjustments baseline is wasted time and energy is solved.
The invention provides a kind of baseline adjusting method of detached peaks, comprise the steps:
Step a1, connects starting point and the drop point of detached peaks, forms preparation baseline;
Whether step a2, exist baseline between the preparation baseline judging described detached peaks and up-to-date formation and run through, and if so, then performs step a3, if not, then performs step a4;
Step a3, search the penetration on detached peaks, when an existence penetration, from the first end points of detached peaks, on detached peaks, pointwise is close as experimental point to the summit of detached peaks, the second end points connecting described experimental point and detached peaks forms new preparation baseline, runs through until there is not baseline, performs step a4; Wherein, described first end points is starting point, and described second end points is drop point; Or described first end points is drop point, described second end points is starting point;
Step a4, using the preparation baseline of up-to-date formation as the actual baseline after adjustment.
Illustrate as one, the first end points of the present invention is described starting point, and described experimental point is experiment starting point; Described step a3 comprises: search the penetration on detached peaks, when existence penetration and the position of described penetration between described starting point and described summit time, from described starting point, on detached peaks, pointwise increases progressively as experiment starting point to described summit, connect described experiment starting point and drop point forms new preparation baseline, run through until there is not baseline, perform step a4.
Illustrate as one, the first end points of the present invention is described drop point, and described experimental point is experiment drop point; Described step a3 comprises: search the penetration on detached peaks, when existence penetration and the position of described penetration between described drop point and described summit time, from described drop point, on detached peaks, pointwise is successively decreased as experiment drop point to described summit, connect described starting point and form new preparation baseline with experiment drop point, run through until there is not baseline, perform step a4.
Illustrate as one, step a3 of the present invention also comprises: search the penetration on detached peaks, when existence two penetrations, and the position of a penetration is between described starting point and described summit, when the position of another penetration is between described drop point and described summit, the first extreme point on acquisition detached peaks between described starting point to described summit and the secondary extremal point between described drop point to described summit; Connect the first extreme point and secondary extremal point, form new preparation baseline, and return step a2.
Illustrate as one, when detached peaks of the present invention is posivtive spike, described first extreme point is the minimum point on detached peaks between described starting point to described summit, and described secondary extremal point is the minimum point on detached peaks between described drop point to described summit.
Illustrate as one, when detached peaks of the present invention is negative peak, described first extreme point is the peak on detached peaks between described starting point to described summit, and described secondary extremal point is the peak on detached peaks between described drop point to described summit.
Accordingly, present invention also offers a kind of chromatographic work station with baseline adjustment function, comprising:
Initial baseline unit, for connecting starting point and the drop point of detached peaks, forms preparation baseline;
Run through judging unit, for judge described detached peaks and up-to-date formation preparation baseline between whether there is baseline and run through, if so, then trigger baseline updating block, if not, then trigger baseline adjustment unit;
Baseline updating block, for searching the penetration on detached peaks, when an existence penetration, from the first end points of detached peaks, on detached peaks, pointwise is close as experimental point to the summit of detached peaks, the second end points connecting described experimental point and detached peaks forms new preparation baseline, runs through until there is not baseline, triggers baseline adjustment unit; Wherein, described first end points is starting point, and described second end points is drop point; Or described first end points is drop point, described second end points is starting point;
Baseline adjustment unit, for using the preparation baseline of up-to-date formation as adjustment after actual baseline.
Illustrate as one, the first end points of the present invention is described starting point, and described experimental point is experiment starting point; Described baseline updating block is for searching the penetration on detached peaks, when existence penetration and the position of described penetration between described starting point and described summit time, from described starting point, on detached peaks, pointwise increases progressively as experiment starting point to described summit, connect described experiment starting point and drop point forms new preparation baseline, run through until there is not baseline, trigger baseline adjustment unit.
Illustrate as one, the first end points of the present invention is described drop point, and described experimental point is experiment drop point; Described baseline updating block is for searching the penetration on detached peaks, when existence penetration and the position of described penetration between described drop point and described summit time, from described drop point, on detached peaks, pointwise is successively decreased as experiment drop point to described summit, connect described starting point and form new preparation baseline with experiment drop point, run through until there is not baseline, trigger baseline adjustment unit.
Illustrate as one, baseline updating block of the present invention is also for searching the penetration on detached peaks, when existence two penetrations, and the position of a penetration is between described starting point and described summit, when the position of another penetration is between described drop point and described summit, the first extreme point on acquisition detached peaks between described starting point to described summit and the secondary extremal point between described drop point to described summit; And connect the first extreme point and secondary extremal point, form new preparation baseline, and triggering runs through judging unit.
Illustrate as one, when detached peaks of the present invention is posivtive spike, described first extreme point is the minimum point on detached peaks between described starting point to described summit, and described secondary extremal point is the minimum point on detached peaks between described drop point to described summit.
Illustrate as one, when detached peaks of the present invention is negative peak, described first extreme point is the peak on detached peaks between described starting point to described summit, and described secondary extremal point is the peak on detached peaks between described drop point to described summit.
Compared with prior art, the present invention has the following advantages:
The present invention detached peaks and preparation baseline exist baseline run through time, by automatically more ground zero and/or drop point form new preparation baseline, run through until there is not baseline, chromatographic work station can be made when recognizing baseline and running through, the baseline adjustment automatically completed.On the one hand, the position of baseline is accurate, provides sound assurance for obtaining peak area and peak height more accurately, reduces error when carrying out quantitative test to the detached peaks of testing sample, improves the accuracy of quantitative test; Also reduce the work complexity of laboratory technician on the other hand, compare manual adjustments baseline time saving and energy saving, analysis result can be obtained more rapidly.
Accompanying drawing explanation
Fig. 1 (a) is the spectrogram schematic diagram at positive separation peak;
Fig. 1 (b) is the spectrogram schematic diagram of negative detached peaks;
Fig. 2 (a) is positive separation peak and baseline schematic diagram when running through;
Fig. 2 (b) is negative detached peaks and baseline schematic diagram when running through;
Fig. 3 is the process flow diagram of the baseline adjusting method embodiment of a kind of detached peaks of the present invention;
Fig. 4 (a) is that a kind of baseline at positive separation peak runs through schematic diagram;
Fig. 4 (b) carries out the schematic diagram after baseline adjustment to Fig. 4 (a);
Fig. 5 (a) is that a kind of baseline of negative detached peaks runs through schematic diagram;
Fig. 5 (b) carries out the schematic diagram after baseline adjustment to Fig. 5 (a);
Fig. 6 (a) is that the another kind of baseline at positive separation peak runs through schematic diagram;
Fig. 6 (b) carries out the schematic diagram after baseline adjustment to Fig. 6 (a);
Fig. 7 (a) is that the another kind of baseline of negative detached peaks runs through schematic diagram;
Fig. 7 (b) carries out the schematic diagram after baseline adjustment to Fig. 7 (a);
Fig. 8 (a) is that another baseline at positive separation peak runs through schematic diagram;
Fig. 8 (b) carries out the schematic diagram after baseline adjustment to Fig. 8 (a);
Fig. 9 (a) is that another baseline of negative detached peaks runs through schematic diagram;
Fig. 9 (b) carries out the schematic diagram after baseline adjustment to Fig. 9 (a);
Figure 10 is the process flow diagram of the baseline adjusting method preferred embodiment of a kind of detached peaks of the present invention;
Figure 11 is a kind of structural representation with chromatographic work station 110 embodiment of baseline adjustment function of the present invention.
Embodiment
For enabling above-mentioned purpose of the present invention, feature and advantage become apparent more, and below in conjunction with the drawings and specific embodiments, the present invention is further detailed explanation.
With reference to Fig. 3, show the process flow diagram of the baseline adjusting method embodiment of a kind of detached peaks of the present invention, comprise the steps:
Step a1, connects starting point and the drop point of detached peaks, forms preparation baseline;
First this step needs starting point and the drop point of determining detached peaks, and then straight line connects starting point and the drop point of detached peaks.
For positive separation peak (namely detached peaks is posivtive spike), in the process of blob detection, pointwise detects the slope of data point, when the slope of data point is greater than predetermined threshold value, then think that this data point is the starting point at positive separation peak, when the slope of multiple data point is all greater than predetermined threshold value, the starting point that the minimum point (point that ordinate is minimum) in the plurality of data point is positive separation peak.
For positive separation peak, in the process of blob detection, pointwise detects the slope of data point, when the absolute value of the slope of data point is less than predetermined threshold value, then think that this data point is the drop point at positive separation peak, when the absolute value of the slope of multiple data point is all less than predetermined threshold value, the drop point that the minimum point (point that ordinate is minimum) in the plurality of data point is positive separation peak.
For negative detached peaks (namely detached peaks is negative peak), in the process of blob detection, pointwise detects the slope of data point, when the absolute value of the slope of data point is less than predetermined threshold value, then think that this data point is the starting point of negative detached peaks, when the absolute value of the slope of multiple data point is all less than predetermined threshold value, the peak (point that ordinate is maximum) in the plurality of data point is the starting point of negative detached peaks.
For negative detached peaks, in the process of blob detection, pointwise detects the slope of data point, when the slope of data point is less than predetermined threshold value, then think that this data point is the drop point of negative detached peaks, when the slope of multiple data point is all less than predetermined threshold value, the peak (point that ordinate is maximum) in the plurality of data point is the drop point of negative detached peaks.
It should be noted that, the data point involved by the embodiment of the present invention all refers to the raw data that chromatograph collects, namely not through the data of secondary processing process.Described pointwise detects and refers to that the time order and function order pointwise according to the raw data collected detects.
Whether step a2, exist baseline between the preparation baseline judging described detached peaks and up-to-date formation and run through, and if so, then performs step a3, if not, then performs step a4;
On spectrogram, if the preparation baseline of up-to-date formation and detached peaks have other intersection points except starting point and drop point, then there is baseline and run through.When specifically judging, can adopt with the following method: for positive separation peak, if the position of some data point of its spectrogram is lower than the position of preparation baseline, then occurring that baseline runs through; For negative detached peaks, if the position of some data point of its spectrogram is higher than the position of preparation baseline, then occur that baseline runs through.
Step a3, search the penetration on detached peaks, when an existence penetration, from the first end points of detached peaks, on detached peaks, pointwise is close as experimental point to the summit of detached peaks, the second end points connecting described experimental point and detached peaks forms new preparation baseline, runs through until there is not baseline, performs step a4; Wherein, described first end points is starting point, and described second end points is drop point; Or described first end points is drop point, described second end points is starting point;
Described penetration is exactly other intersection points between the preparation baseline of up-to-date formation and detached peaks except starting point and drop point.When specifically searching, if certain any coordinate is identical with the coordinate of certain point on the preparation baseline of up-to-date formation on detached peaks, and the non-starting point of this point and drop point, then this point is exactly penetration.The summit at positive separation peak is the peak of detached peaks, and the summit of negative detached peaks is the minimum point of detached peaks.Described pointwise for each data point refer to each raw data that chromatograph collects.
Step a4, using the preparation baseline of up-to-date formation as the actual baseline after adjustment.
In this step, also need the starting point of detached peaks or drop point to be updated to the experimental point do not existed when baseline runs through.
The baseline adjusting method of the detached peaks that the embodiment of the present invention provides, can make chromatographic work station carry out data processing and recognize baseline run through time, automatically complete baseline adjustment.On the one hand, the position of baseline is accurate, provides sound assurance for obtaining peak area and peak height more accurately, reduces error when carrying out quantitative test to the detached peaks of testing sample, improves the accuracy of quantitative test; Also reduce the work complexity of laboratory technician on the other hand, compare manual adjustments baseline time saving and energy saving, analysis result can be obtained more rapidly.
Below, according to the position of penetration, step a3 is specifically described.
Illustrate as one, there is a penetration C and the position of described penetration C between described starting point S and described summit P.Described first end points is described starting point, and described experimental point is experiment starting point.
With reference to Fig. 4 (a), for a kind of baseline at positive separation peak runs through schematic diagram, with reference to Fig. 5 (a), for a kind of baseline of negative detached peaks runs through schematic diagram.Composition graphs 4(a) and Fig. 5 (a), described step a3 comprises: search the penetration on detached peaks, as existence penetration C and the position of described penetration C between described starting point S and described summit P time, from described starting point S, on detached peaks, pointwise increases progressively as experiment starting point to described summit P, connect described experiment starting point and drop point E forms new preparation baseline, run through until there is not baseline, perform step a4.As shown in Figure 4 (b) and Fig 5 (b), from described starting point S, on detached peaks, pointwise increases progressively as experiment starting point to described summit P, when the position of testing starting point is positioned at S1 place, there is not baseline and run through, then perform step a4, by the preparation baseline S1-E of up-to-date formation, namely the line between S1 and E, as the actual baseline after adjustment, and more ground zero is S1.
Be understandable that, the position of penetration C is between described starting point S and described summit P, refer to that penetration C is positioned on one section of spectrum curve that starting point S and summit P formed, obviously, now the horizontal ordinate of penetration C is between the horizontal ordinate of starting point S and the horizontal ordinate of summit P.
Illustrate as another, there is a penetration C and the position of described penetration C between described drop point E and described summit P.Described first end points is described drop point, and described experimental point is experiment drop point.
With reference to Fig. 6 (a), for the another kind of baseline at positive separation peak runs through schematic diagram, with reference to Fig. 7 (a), for the another kind of baseline of negative detached peaks runs through schematic diagram.Composition graphs 6(a) and Fig. 7 (a), described step a3 comprises: search the penetration on detached peaks, as existence penetration C and the position of described penetration C between described drop point E and described summit P time, from described drop point E, on detached peaks, pointwise is successively decreased as experiment drop point to described summit P, connect described starting point S and form new preparation baseline with experiment drop point, run through until there is not baseline, perform step a4.As shown in Fig. 6 (b) He Fig. 7 (b), from described drop point E, on detached peaks, pointwise is successively decreased as experiment drop point to described summit P, when the position of testing drop point is positioned at E1 place, there is not baseline to run through, then perform step a4, by the preparation baseline S-E1 of up-to-date formation, the line namely between S and E1, as the actual baseline after adjustment, and to upgrade drop point be E1.
Be understandable that, the position of penetration C is between described drop point E and described summit P, refer to that penetration C is positioned on one section of spectrum curve that summit P and drop point E formed, obviously, now the horizontal ordinate of penetration C is between the horizontal ordinate of summit P and the horizontal ordinate of drop point E.
Illustrate as another, there are two penetration C1 and C2, and the position of a penetration C1 is between described starting point S and described summit P, the position of another penetration C2 is between described drop point E and described summit P.
With reference to Fig. 8 (a), for another baseline at positive separation peak runs through schematic diagram, with reference to Fig. 9 (a), for another baseline of negative detached peaks runs through schematic diagram.Composition graphs 8(a) and Fig. 9 (a), described step a3 also comprises: search the penetration on detached peaks, as existence two penetration C1 and C2, and the position of a penetration C1 is between described starting point S and described summit P, when the position of another penetration C2 is between described drop point E and described summit P, as shown in Fig. 8 (b) He Fig. 9 (b), obtain the secondary extremal point M2 between described drop point E to described summit P on the first extreme point M1 on detached peaks between described starting point S to described summit P and detached peaks; Connect the first extreme point M1 and secondary extremal point M2, form new preparation baseline M1-M2, and return step a2.
Be understandable that, the position of penetration C1 is between described starting point S and described summit P, refer to that penetration C1 is positioned on one section of spectrum curve that starting point S and summit P formed, obviously, now the horizontal ordinate of penetration C1 is between the horizontal ordinate of starting point S and the horizontal ordinate of summit P.The position of penetration C2 is between described drop point E and described summit P, and refer to that penetration C2 is positioned on one section of spectrum curve that summit P and drop point E formed, obviously, now the horizontal ordinate of penetration C2 is between the horizontal ordinate of summit P and the horizontal ordinate of drop point E.
When described detached peaks is posivtive spike, described first extreme point M1 is the minimum point on detached peaks between described starting point S to described summit P, and described secondary extremal point M2 is the minimum point on detached peaks between described drop point E to described summit P.When described detached peaks is negative peak, described first extreme point M1 is the peak on detached peaks between described starting point S to described summit P, and described secondary extremal point M2 is the peak on detached peaks between described drop point E to described summit P.
After turning back to step a2 by step a3, whether there is baseline between the preparation baseline M1-M2 continuing to judge described detached peaks and up-to-date formation and run through, if, then again perform step a3, if not, then perform step a4, using the preparation baseline M1-M2 of up-to-date formation as the actual baseline after adjustment.As shown in Fig. 8 (b) He Fig. 9 (b), there is not baseline and run through between the preparation baseline M1-M2 of described detached peaks and up-to-date formation, then will prepare baseline M1-M2 as the actual baseline after adjustment, and more ground zero is M1, renewal drop point is M2.
With reference to Figure 10, show the process flow diagram of the baseline adjusting method preferred embodiment of a kind of detached peaks of the present invention, comprise the steps:
Step b1, connects starting point and the drop point of detached peaks, forms preparation baseline;
Whether step b2, exist baseline between the preparation baseline judging described detached peaks and up-to-date formation and run through, and if so, then performs step b3, if not, then performs step 16;
Step b3, searches the penetration on detached peaks, the position of record penetration;
Step b4, judge whether existence penetration and the position of penetration between starting point and summit, if so, then perform step b8, if not, then perform step b5;
Step b5, judge whether existence penetration and the position of penetration between summit and drop point, if so, then perform step b12, if not, then perform step b6;
Step b6, there are two penetrations, and the position of a penetration is between starting point and summit, the position of another penetration is between drop point and summit;
Step b7, the first extreme point on acquisition detached peaks between described starting point to described summit and the secondary extremal point between described drop point to described summit; Connect the first extreme point and secondary extremal point, form new preparation baseline; Return step b2;
Step b8, starting point is denoted as S, i=S+1;
Catch b9, connect and drop point at i-th, form new preparation baseline;
Whether step b10, exist baseline between the preparation baseline judging described detached peaks and up-to-date formation and run through, and if so, then performs step a11, if not, then performs step a16;
Step b11, i=i+1, and return step b9;
Step b12, drop point is denoted as E, j=E-1;
Step b13, connects jth point and starting point, forms new preparation baseline;
Whether step b14, exist baseline between the preparation baseline judging described detached peaks and up-to-date formation and run through, and if so, then performs step a15, if not, then performs step a16;
Step b15, j=j-1, and return step b13;
Step b16, using the preparation baseline of up-to-date formation as the actual baseline after adjustment, and more ground zero is i, and drop point is j;
Step b17, terminates to adjust the baseline of this detached peaks.
It should be noted that, the sequencing of the present invention to step b4 and step b5 is not construed as limiting, and first can also perform step b5, performs step b4 again when judged result is no, performs step b6 again when step b4 is no; Step b4, b5 and b6 can also be merged into a determining step to perform simultaneously.
With reference to Figure 11, show a kind of structural representation with chromatographic work station 110 embodiment of baseline adjustment function of the present invention, chromatographic work station 110 comprises:
Initial baseline unit 111, for connecting starting point and the drop point of detached peaks, forms preparation baseline;
Run through judging unit 112, for judge described detached peaks and up-to-date formation preparation baseline between whether there is baseline and run through, if so, then trigger baseline updating block 113, if not, then trigger baseline adjustment unit 114;
Baseline updating block 113, for searching the penetration on detached peaks, when an existence penetration, from the first end points of detached peaks, on detached peaks, pointwise is close as experimental point to the summit of detached peaks, the second end points connecting described experimental point and detached peaks forms new preparation baseline, runs through until there is not baseline, triggers baseline adjustment unit 114; Wherein, described first end points is starting point, and described second end points is drop point; Or described first end points is drop point, described second end points is starting point;
Baseline adjustment unit 114, for using the preparation baseline of up-to-date formation as adjustment after actual baseline.
Each component units of described chromatographic work station 110 performs each step according to the process flow diagram shown in Fig. 3.
Illustrate as one, described first end points is described starting point, and described experimental point is experiment starting point;
Described baseline updating block 113 is for searching the penetration on detached peaks, when existence penetration and the position of described penetration between described starting point and described summit time, from described starting point, on detached peaks, pointwise increases progressively as experiment starting point to described summit, connect described experiment starting point and drop point forms new preparation baseline, run through until there is not baseline, trigger baseline adjustment unit 114.
Illustrate as another, described first end points is described drop point, and described experimental point is experiment drop point;
Described baseline updating block 113 is for searching the penetration on detached peaks, when existence penetration and the position of described penetration between described drop point and described summit time, from described drop point, on detached peaks, pointwise is successively decreased as experiment drop point to described summit, connect described starting point and form new preparation baseline with experiment drop point, run through until there is not baseline, trigger baseline adjustment unit 114.
Illustrate as another, described baseline updating block 113 is also for searching the penetration on detached peaks, when existence two penetrations, and the position of a penetration is between described starting point and described summit, when the position of another penetration is between described drop point and described summit, the first extreme point on acquisition detached peaks between described starting point to described summit and the secondary extremal point between described drop point to described summit; And connect the first extreme point and secondary extremal point, form new preparation baseline, and triggering runs through judging unit 112.
As an example, in above-mentioned illustrating, when described detached peaks is posivtive spike, described first extreme point is the minimum point on detached peaks between described starting point to described summit, and described secondary extremal point is the minimum point on detached peaks between described drop point to described summit.
As another example, in above-mentioned illustrating, when described detached peaks is negative peak, described first extreme point is the peak on detached peaks between described starting point to described summit, and described secondary extremal point is the peak on detached peaks between described drop point to described summit.
Illustrate according to above-mentioned three, described chromatographic work station 110 performs each step according to the process flow diagram shown in Figure 10.
Between each embodiment in this instructions identical similar part mutually see.For chromatographic work station embodiment, due to itself and embodiment of the method basic simlarity, so description is fairly simple, relevant part illustrates see the part of embodiment of the method.
Above to baseline adjusting method and a kind of chromatographic work station with baseline adjustment function of a kind of detached peaks provided by the present invention, be described in detail, apply specific case herein to set forth principle of the present invention and embodiment, the explanation of above embodiment just understands method of the present invention and core concept thereof for helping; Meanwhile, for one of ordinary skill in the art, according to thought of the present invention, all will change in specific embodiments and applications, in sum, this description should not be construed as limitation of the present invention.
Claims (12)
1. a baseline adjusting method for detached peaks, is characterized in that, comprises the steps:
Step a1, connects starting point and the drop point of detached peaks, forms preparation baseline;
Whether step a2, exist baseline between the preparation baseline judging described detached peaks and up-to-date formation and run through, and if so, then performs step a3, if not, then performs step a4;
Step a3, search the penetration on detached peaks, when an existence penetration, from the first end points of detached peaks, on detached peaks, pointwise is close as experimental point to the summit of detached peaks, the second end points connecting described experimental point and detached peaks forms new preparation baseline, runs through until there is not baseline, performs step a4; Wherein, described first end points is starting point, and described second end points is drop point; Or described first end points is drop point, described second end points is starting point;
Step a4, using the preparation baseline of up-to-date formation as the actual baseline after adjustment.
2. the method for claim 1, is characterized in that,
Described first end points is described starting point, and described experimental point is experiment starting point;
Described step a3 comprises: search the penetration on detached peaks, when existence penetration and the position of described penetration between described starting point and described summit time, from described starting point, on detached peaks, pointwise increases progressively as experiment starting point to described summit, connect described experiment starting point and drop point forms new preparation baseline, run through until there is not baseline, perform step a4.
3. the method for claim 1, is characterized in that,
Described first end points is described drop point, and described experimental point is experiment drop point;
Described step a3 comprises: search the penetration on detached peaks, when existence penetration and the position of described penetration between described drop point and described summit time, from described drop point, on detached peaks, pointwise is successively decreased as experiment drop point to described summit, connect described starting point and form new preparation baseline with experiment drop point, run through until there is not baseline, perform step a4.
4. the method as described in any one of claims 1 to 3, is characterized in that,
Described step a3 also comprises: search the penetration on detached peaks, when existence two penetrations, and the position of a penetration is between described starting point and described summit, when the position of another penetration is between described drop point and described summit, the first extreme point on acquisition detached peaks between described starting point to described summit and the secondary extremal point between described drop point to described summit; Connect the first extreme point and secondary extremal point, form new preparation baseline, and return step a2.
5. method as claimed in claim 4, is characterized in that,
When described detached peaks is posivtive spike,
Described first extreme point is the minimum point on detached peaks between described starting point to described summit,
Described secondary extremal point is the minimum point on detached peaks between described drop point to described summit.
6. method as claimed in claim 4, is characterized in that,
When described detached peaks is negative peak,
Described first extreme point is the peak on detached peaks between described starting point to described summit,
Described secondary extremal point is the peak on detached peaks between described drop point to described summit.
7. there is a chromatographic work station for baseline adjustment function, it is characterized in that, comprising:
Initial baseline unit, for connecting starting point and the drop point of detached peaks, forms preparation baseline;
Run through judging unit, for judge described detached peaks and up-to-date formation preparation baseline between whether there is baseline and run through, if so, then trigger baseline updating block, if not, then trigger baseline adjustment unit;
Baseline updating block, for searching the penetration on detached peaks, when an existence penetration, from the first end points of detached peaks, on detached peaks, pointwise is close as experimental point to the summit of detached peaks, the second end points connecting described experimental point and detached peaks forms new preparation baseline, runs through until there is not baseline, triggers baseline adjustment unit; Wherein, described first end points is starting point, and described second end points is drop point; Or described first end points is drop point, described second end points is starting point;
Baseline adjustment unit, for using the preparation baseline of up-to-date formation as adjustment after actual baseline.
8. chromatographic work station as claimed in claim 7, is characterized in that,
Described first end points is described starting point, and described experimental point is experiment starting point;
Described baseline updating block is for searching the penetration on detached peaks, when existence penetration and the position of described penetration between described starting point and described summit time, from described starting point, on detached peaks, pointwise increases progressively as experiment starting point to described summit, connect described experiment starting point and drop point forms new preparation baseline, run through until there is not baseline, trigger baseline adjustment unit.
9. chromatographic work station as claimed in claim 7, is characterized in that,
Described first end points is described drop point, and described experimental point is experiment drop point;
Described baseline updating block is for searching the penetration on detached peaks, when existence penetration and the position of described penetration between described drop point and described summit time, from described drop point, on detached peaks, pointwise is successively decreased as experiment drop point to described summit, connect described starting point and form new preparation baseline with experiment drop point, run through until there is not baseline, trigger baseline adjustment unit.
10. the chromatographic work station as described in any one of claim 7 to 9, is characterized in that,
Described baseline updating block is also for searching the penetration on detached peaks, when existence two penetrations, and the position of a penetration is between described starting point and described summit, when the position of another penetration is between described drop point and described summit, the first extreme point on acquisition detached peaks between described starting point to described summit and the secondary extremal point between described drop point to described summit; And connect the first extreme point and secondary extremal point, form new preparation baseline, and triggering runs through judging unit.
11. chromatographic work stations as claimed in claim 10, is characterized in that,
When described detached peaks is posivtive spike, described first extreme point is the minimum point on detached peaks between described starting point to described summit, and described secondary extremal point is the minimum point on detached peaks between described drop point to described summit.
12. chromatographic work stations as claimed in claim 10, is characterized in that,
When described detached peaks is negative peak, described first extreme point is the peak on detached peaks between described starting point to described summit, and described secondary extremal point is the peak on detached peaks between described drop point to described summit.
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