CN104297504A - Automatic gas chromatographic control system - Google Patents
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Abstract
The invention relates to the technical field of detection and analysis instruments and in particular relates to an automatic gas chromatographic control system. The automatic gas chromatographic control system comprises an automatic gas chromatographic instrument center controller, a networking and data communication interface, an automatic chromatographic data processing and controlling workstation and a chromatographic analysis database; the automatic chromatographic data processing and controlling workstation comprises a chromatogram map processing and analyzing module. According to the automatic gas chromatographic control system, an embedded type technique, a software component technique and a networking technique are used. Compared with the prior art, the automatic gas chromatographic control system has the advantages that the integration of the gas chromatographic control system in controlling, processing and analyzing process can be achieved, so that the integration of embedded type control, operation management, data acquisition, chromatographic processing and analysis and report form statistics of the gas chromatographic instrument is improved; the networking control and sharing of a chromatographic analyzer are achieved; the componentization and configuration of the controlling, processing and analyzing software of the chromatographic instrument are achieved, so that the novel function can be quickly expanded by the software of the chromatographic instrument in a building block manner according to the requirement change of users.
Description
[technical field]
The present invention relates to detection technical field of analytical instruments, specifically a kind of robotization gas chromatography control system.
[background technology]
Gas chromatograph is applied very wide in oil, chemical industry, biological chemistry, medical and health, food industry, environmental protection etc., can not only be used for quantitatively and outside qualitative analysis, can also the physicochemical constant such as the partition factor of working sample on Stationary liquid, activity coefficient, molecular weight and specific surface area.
In order to make a breakthrough in fields such as life science, material science and environmental sciences and develop, and the continuous appearance of emerging technology, gas chromatograph trends towards full-automation, full-automatic gas chromatograph is a kind of high-tech product, the newest fruits of comprehensive various cutting edge technology is benefited from its development, meanwhile, the challenge that various cutting edge technology is constantly brought forth new ideas and developed also is faced.Full-automatic gas chromatograph need realize needing in robotization, intellectuality etc. to constantly bring forth new ideas in gas flow, Stress control, multiple detecting device, automatic sampler, chromatogram control data processing workstation and network system, because the development of product function more and more depends on infotech, its integral level and competitive power not only show the performance of instrument itself, comprise sensitivity, reliability, stability etc., and more focus on the computerize of instrument, intellectuality, networking.Meanwhile, the software systems matched with instrument hardware are just becoming the core place of scientific instrument.
At present, in full-automatic gas chromatography, there are many products of the future abroad, and there is no like product at home.Domestic gas chromatograph product is quite a few, but generally lags behind external product, therefore, in high-end product, depends on import, and the cost every year for buying external high-end product is huge.Especially comparatively backwardness in robotization, intellectuality, software kit etc., is mainly manifested in:
1) integrated degree of chromatogram control, management, process, analysis etc. is low, uses inconvenience;
2) networking, integration degree are low, are mostly single-set operation system, the aspect support such as to share inadequate to remote control, network;
3) speed of development does not catch up with the application demand of professional domain, and at the bottom of the configuration of software kit, componentization degree, compatibility is not high, once need to increase new function, often causes making a new start of software development.
[summary of the invention]
The object of the invention is the deficiencies such as comparatively backward according to aspects such as above-described gas chromatograph robotization, intellectuality, software kits, not catch up with professional domain application demand, invention is a kind of adopts embedded technology, software component technology, networking technology etc., relate in gas chromatograph from embedded Control, task management, data acquisition, chromatography and analysis, application of gas chromatorgraphy/mass, to the integrated robotization gas chromatography control system such as networking service system.
To achieve these goals, design a kind of robotization gas chromatography control system, comprise robotization gas chromatograph central control unit, networking and data communication interface, robotization chromatographic data processing controls workstation and chromatogram analysis data storehouse, robotization chromatographic data processing controls workstation comprises chromatogram treatment and analyses module, and described chromatogram treatment and analyses module concrete grammar is as follows:
A. data prediction: any one chromatographic system all exists system noise, from the tiny signal that the simulating signal of chromatographic detector output is millivolt level, need to be amplified between-5 ~+5v through amplifier, being gathered by collecting device and being converted into digital signal is input in computing machine, this process is just often attended by larger random disturbance, have to pass through data prediction, noise filtering, noise filtering is realized by digital filtering, and pretreated digital filtering method comprises: the method for moving average, least square curve fitting method, damped least squares estimate filter method;
B. chromatographic peak identification: comprise the detection of each unique point on blob detection, peak, the identification of peak structure, the differentiation of adjacent peak overlap, spectrogram baseline correction, pass through mass spectrum database, just can obtain the position at peak in spectrogram and clean intensity, for follow-up qualitative, quantitative calculating provides foundation;
C. baseline correction: the baseline of chromatogram is the background signal of the system when not analyzing sample, the Background of instrument system need be deducted during computer chromatography peak size, namely need the area deducting below baseline to obtain the net area of chromatographic peak, because the content of test substance only has corresponding relation with the clean intensity of chromatographic peak, baseline in chromatogram often drifts about, twisted phenomena, belong to the low frequency noise like that width in chromatogram is greater than peak width level, when there is chromatographic peak in succession and being overlapping, the situation that baseline disappears also is there will be in spectrogram, spectrogram baseline correction method mainly contains: linear model method, high-order model method, dynamic model method,
D. chromatographic peak corrects: chromatographic peak ideally should be Gaussian-shaped curve, but for some potpourri, change the operating conditions of instrument in any case, be difficult to some component wherein is fully separated on spectrogram, which forms peak overlap phenomenon common in spectrogram, in order to Accurate Determining area, just need the correction carrying out chromatographic peak, namely overlap peak is split, when carrying out overlap peak segmentation, system mainly considers two kinds of common situations: connect peak type overlap peak and acromion type overlap peak, for the identification at the very bad peak of degree of separation, or run into the situation of Special Mixed sample, need manually to process, by user, peak height thresholding is set, smallest peaks area, and the size parameter of N value during grouping, thus make system reanalyse the data in this cycle, meet sample analysis and chromatographic peak correction,
E. peak height, calculated by peak area: peak height and peak area all can realize the quantitative test to chromatographic signal, the peak of peak height and chromatographic peak is to the vertical range of baseline, peak area is the basal ration data on chromatogram, the accuracy that peak area is measured directly affects quantitative result, first the chromatographic data that sampling obtains must identify each unique point of chromatographic peak by peak recognition function, then make the baseline of spectrogram, finally by integral function, integration is carried out to each chromatographic peak and obtain peak area;
F. sample concentration calculate: when analyzed sample chromatographic peak by chromatographic work station judge and integration after, system just can provide for the survey peak area of sample component or the data of peak height or store, carry out sample concentration calculating by these data, density calculating method comprises: area and peak height number percent, normalization method, external standard method, internal standard method;
G. TuPu method extracts: refer to extraction image information, point on image is divided into different subsets, one of its result extracts a series of discretize histogram relevant to time series, after chromatogram pre-service, chromatographic peak identification, baseline correction, sample concentration computing, the method can extracted by TuPu method, automatic or manual feature extraction is carried out to the chromatogram possessing characteristic feature, and is stored in relevant feature database, for fingerprint similarity analysis provides basic basis;
H. fingerprint similarity analysis: on the basis that TuPu method extracts, form the finger-print of discretize, be stored in fingerprint databases, for chromatographic fingerprinting similarity analysis provides reference.
Described robotization gas chromatograph central control unit comprises:
Data transmission module: the communication interface developing chromatography and analytical work station based on RJ45 network interface, meet the requirement that transmitted data amount between chromatographic work station and central control unit is large, realize any chromatographic work station and can directly control multiple stage chromatographic equipment
Auto injection control module: comprise solvent cleaning, sample clean, quantitative sampling, sequential operation control, fault detect, automatic sampler real-time multichannel PWM width modulation configuration injector multi-axis control system drives, thus form the controller of multi-functional integration, automatic sampler can provide online and off line two kinds of working methods
Multiple detector data collection: data communication interface comprises multiple detector data acquisition interface, order control interface and fault pre-alarming interface, based on embedded methods and communication control method, the communication interface of central control unit and automatic sampler, all kinds of detecting device adopts serial communication to be main;
The temperature of gas chromatography controls, electronic gas flow control and event control: control according to gas chromatography temperature, the demand of electronic gas flow control and event control, meet the multistage temperature program(me) intensification of multiple tracks, isothermal control overflow, meet the electronic gas flow control requirement of multiple gases
Fault diagnosis: adopt virtual instrument method, utilize software on device screen, form virtual instrument panel, under the support of hardware, equipment state is detected, hardware configuration selects data acquisition board as data acquisition equipment, the response time that software merit rating is received and dispatched by instruction, analyze signal, adopt expert system, neural network, fault tree analysis method carries out fault analysis and diagnosis.
Described networking and data communication interface comprise:
Long-distance Control: realize GC networking, realize Long-distance Control by network joint, can control the operation of online equipment by command string, control program at server end;
Remote detection: realize remote detection by network joint, can detect state, the ruuning situation of online equipment, make Performance Evaluation to online equipment at server end;
Remote diagnosis: realize remote diagnosis by network joint, can by the self study experience in information state storehouse at server end, and diagnosis detects the ruuning situation of online equipment and differentiates its failure condition;
Telemanagement: realize telemanagement by network joint, can require to make laboratory operation management to online equipment by information management at server end.
Described chromatogram analysis data storehouse comprises job information storehouse, failure diagnosis information storehouse, systems management data storehouse, sample correction database, fingerprint databases, job information storehouse and failure diagnosis information storehouse are the bases of stratographic analysis embedded controller, provide support for it provides parameter configuration, task to configure; The raw information of sample original chromatogram library storage sample, the information processed through chromatographic peak identification, baseline correction etc. exists in sample correction database; Fingerprint databases is that sample concentration calculates, the result of TuPu method extraction process, and systems management data storehouse is then for the configuration management of system, sample managing, the management of spectrogram peak type, chromatogram characteristic management, algorithm configuration management and system log management provide safeguard.
Compared with the existing technology, advantage is in the present invention:
1. realize gas chromatography control system integrated with Treatment Analysis process of management and control, make gas chromatograph from embedded Control, task management, data acquisition, chromatography and analysis, stronger to globalities such as statistical report forms;
2. the control based on network realizing chromatograph, with shared, realizes " operated from a distance ", " Long-distance Control ", " remote diagnosis ", " telemanagement " of system by computer network;
3. realize chromatograph to control and the soft part componentization of Treatment Analysis, configuration, make Chromatograph software can according to the changes in demand of user, the function that brick pattern Quick Extended is new.
[accompanying drawing explanation]
Fig. 1 is overall system framework of the present invention;
[embodiment]
Below in conjunction with accompanying drawing, the invention will be further described, and the structure of this device and principle are very clearly concerning the people of this specialty.Should be appreciated that specific embodiment described herein only in order to explain the present invention, be not intended to limit the present invention.
The present invention is around the demand of the overall goal of automatic gas chromatography GC (Gas Chromatography) automation control system, based on embedded technology, CPLD technology, computer autocontrol technique and analytical instrument LAN application technology, research and development robotization chromatographic data processing controls workstation and relevant automated system, the fields such as Environment Oriented detection, bio-pharmaceuticals, food security, the stratographic analysis software package of professional domain is provided, realize the networking specification of instrument, promote and promote the automatization level of stratographic analysis in above-mentioned field.
As shown in Figure 1, control system of the present invention is made up of robotization gas chromatograph central control unit, networking and data communication interface, robotization chromatographic data processing controls workstation and chromatogram analysis data storehouse four part.
1) robotization gas chromatograph central control unit Operation control and management
Robotization gas chromatograph central control unit Operation control mainly comprises with management: transmit with the data of robotization chromatographic data processing controls workstation, automatic sampler controls, multiple detector data collection, gas chromatography temperature control, time-program(me) controls and the technology such as fault diagnosis.
(1). data are transmitted
The communication interface at chromatography and analytical work station is developed based on RJ45 network interface, meet the standard of LAN (Local Area Network), meet the requirement that transmitted data amount between chromatographic work station and central control unit is large, realize any chromatographic work station and can directly control multiple stage chromatographic equipment, there is higher dirigibility and stronger reliability;
(2). auto injection controls
The operation of automatic sampler comprises: the function such as solvent cleaning function, sample clean function, quantitative sampling function, sequential operation control, fault detect, automatic sampler real-time multichannel PWM width modulation configuration injector multi-axis control system drives, thus forming the controller of multi-functional integration, automatic sampler can provide online and off line two kinds of working methods.
(3). multiple detector data collection
The research and development of data communication interface comprise multiple detector data acquisition interface, order control interface and fault pre-alarming interface etc., based on embedded technology and Communication Control Technology, the communication interface of central control unit and equipment (automatic sampler, all kinds of detecting device) adopts serial communication to be main, the equipment of main consideration system controls to be based on MCU, SOC, ARM embedded design, and this kind equipment principal feature is based on low-speed communication.Therefore design meets the communication protocol of the bottom of RS232/485/USB (traffic rate 2.4-38.4kBd self-adaptation, USB=1Mb), meets the requirement of GC-MS gas chromatography mass spectrometry system.Exploitation automatic sampler and all kinds of detecting device, comprises the mutual communication interface of TCD, FID, ECD, FPD, PID etc., carries out the control of data processing and robotization, promote the intellectuality of whole system, automatization level by workstation spectrometer system of checking colors.
(4). the temperature of gas chromatography controls, electronic gas flow control and event control
Control according to gas chromatography temperature, the demand of electronic gas flow control (EPC, EFC) and event control, meet the multistage temperature program(me) intensification of multiple tracks, isothermal control overflow, meet the electronic gas flow control requirement of multiple gases (hydrogen, nitrogen, air), carry out programming with C language and be convenient to the software transplanting of maintenance and different control overflow.
(5). fault diagnosis
Adopt virtual instrument technique, utilize software on device screen, form virtual instrument panel, under the support of hardware, equipment state is detected.Hardware configuration selects data acquisition board as data acquisition equipment, the response time that software merit rating is received and dispatched by instruction, analyzes signal, and adopt expert system, neural network, the methods such as fault tree carry out fault analysis and diagnosis.
2) networked deployment and data communication interface
Adopt computer networking technology and database technology, realize " four far operate " of system, i.e. " operated from a distance ", " Long-distance Control ", " remote diagnosis ", " telemanagement ", for the management of chromatograph system networking and automatic operation control provide basis.
(1). Long-distance Control: realize GC networking, meets Internet of things node specification, realizes Long-distance Control by network joint, can be controlled the operation of online equipment at server end by command string, control program.
(2). remote detection: realize remote detection by network joint, can detect state, the ruuning situation of online equipment, make Performance Evaluation to online equipment at server end.
(3). remote diagnosis: realize remote diagnosis by network joint, can by the self study experience in information state storehouse at server end, diagnosis detects the ruuning situation of online equipment and differentiates its failure condition.
(4). telemanagement: realize telemanagement by network joint, can require to make laboratory operation management to online equipment by information management at server end.
3) chromatography of Component-Based Development and analytical work station software system
Adopt Software Component technology, research and propose the common technology framework towards chromatograph software kit, chromatograph control and analysis software is decomposed into embedded Control software, networked communication, chromatogram process, chromatographic characteristics is analyzed, mathematical computations, database processing, a series of separate chromatogram control and analysis field component bag such as visual presentation, technical interface specification between component bag is proposed, realize the configuration of chromatograph control and analysis software, componentization, improve the compatibility of this software, extensibility, poor for solving current domestic chromatograph software kit integration, poor with hardware compatibility, the problems such as customization difficulty provide technological means.
4) chromatogram treatment and analyses technology
Chromatogram treatment and analyses technology mainly comprises data prediction, chromatogram process and chromatogram three parts composition.Chromatogram pack processing is containing chromatographic peak identification, baseline correction, peak height areal calculation, chromatographic peak correction and process etc., and chromatogram mainly comprises sample concentration calculating, TuPu method extraction and fingerprint similarity analysis etc.Under the support of chromatograph and controller, in sample, the concentration of component is converted into strong and weak different voltage signals, forms sample spectrogram information bank by spectrogram collection.The fundamental purpose of stratographic analysis will carry out quantitative test to sample component exactly, draws the percentage composition of each component in sample.
(1). data prediction
All there is system noise in any one chromatographic system.From the tiny signal that the simulating signal of chromatographic detector output is millivolt level, need to be amplified between-5 ~+5v through amplifier, being gathered by collecting device and being converted into digital signal is input in computing machine, this process is just often attended by larger random disturbance, has to pass through data prediction---noise filtering.Noise filtering is generally realized by digital filtering, according to the application of different situations or can design various effective algorithm.The digital filtering technique that pre-service is commonly used has: the method for moving average, least square curve fitting method, damped least squares estimate filter method etc.
(2). chromatographic peak identification
In chromatogram, the accurate identification at peak is most important, because chromatographic peak represents a kind of composition in sample, if miss or know chromatographic peak by mistake, will directly cause composition analysis result mistake, thus has influence on staff further and make sample and judging accurately.On the other hand, composition analysis result, once warehouse-in, can cause losing meaning to the transverse direction of such material or the comparative study of longitudinal direction in the future, therefore how accurately to identify that chromatographic peak is a key issue that must solve fast.Mass spectrum database comprises the detection of each unique point on blob detection (mainly referring to the detection of peak starting point), peak, the identification of peak structure, the differentiation, spectrogram baseline correction etc. of adjacent peak overlap.By mass spectrum database, the position at peak in spectrogram and clean intensity just can be obtained, for follow-up qualitative, quantitative calculating provides foundation.
(3). baseline correction
The baseline of chromatogram is the background signal of the system when not analyzing sample.The Background of instrument system need be deducted during computer chromatography peak size, namely need the area deducting below baseline to obtain the net area of chromatographic peak, because the content of test substance only has corresponding relation with the clean intensity of chromatographic peak.The phenomenons such as the baseline in chromatogram often drifts about, distortion, belong to the low frequency noise like that width in chromatogram is greater than peak width level, when chromatographic peak occurring in succession being overlapping, also there will be the situation of baseline " disappearance " in spectrogram.Spectrogram baseline correction method mainly contains: linear model method, high-order model method, dynamic model method, and wherein dynamic model method has good adaptivity, has been widely used in the baseline correction of chromatogram.
(4). chromatographic peak corrects
Chromatographic peak ideally should be Gaussian-shaped curve, but for some potpourri, changes the operating conditions of instrument in any case, is difficult to some component wherein is fully separated on spectrogram, which forms peak overlap phenomenon common in spectrogram.In order to Accurate Determining area, just need the correction carrying out chromatographic peak, namely overlap peak is split.When carrying out overlap peak segmentation, system of the present invention mainly considers two kinds of common situations: connect peak type overlap peak and acromion type overlap peak.For the identification at the very bad peak of degree of separation, or run into the situation of Special Mixed sample, need manually to process especially.By user arrange peak height thresholding, smallest peaks area and grouping time N value the parameter such as size, thus make system reanalyse the data in this cycle, meet sample analysis and the chromatographic peak correction of special circumstances.
(5). peak height, calculated by peak area
Peak height and peak area all can realize the quantitative test to chromatographic signal.The peak of peak height and chromatographic peak is to the vertical range of baseline.The measuring technique of peak height is comparatively simple, so be easier to realize.Peak area is the basal ration data on chromatogram, and the accuracy that peak area is measured directly affects quantitative result.First the chromatographic data that sampling obtains must identify each unique point of chromatographic peak by peak recognition function, then make the baseline of spectrogram, finally carry out integration by integral function to each chromatographic peak and obtain peak area.
(6). sample concentration calculates
When analyzed sample chromatographic peak by chromatographic work station judge and integration after, system just can wish survey the peak area of sample component or the data of peak height provide or store, carry out sample concentration calculating by these data.Conventional sample concentration computing method have: area and peak height number percent, normalization method, external standard method, internal standard method etc.
(7). TuPu method extracts
It is one of technology of chromatic graph analysis of spectrum and process that TuPu method extracts, and refers to that the point on image is divided into different subsets, and one of its result extracts a series of discretize histogram relevant to time series by relevant Method and Technology extraction image information.After the process such as chromatogram pre-service, chromatographic peak identification, baseline correction, sample concentration calculating, the method can extracted by TuPu method, automatic or manual feature extraction is carried out to the chromatogram possessing characteristic feature, and be stored in relevant feature database, for fingerprint similarity analysis provides basic basis.
(8). fingerprint similarity analysis
Chromatographic fingerprinting similarity is one of effective means of assess sample quality stability.On the basis that TuPu method extracts, form the finger-print of discretize, be stored in fingerprint databases, for chromatographic fingerprinting similarity analysis provides reference.Standardized Data classification form can be set up the finger-print of professional domain easily and compare with national standard collection of illustrative plates, state-promulgated pharmacopoeia collection of illustrative plates, for good basic data is set up in the strengthened research development such as data reprocessing, data mining.
5) chromatogram analysis data storehouse and information management function
In the analysis configuration of embedded Control, chromatogram Treatment Analysis, stratographic analysis efforts process, there is a large amount of input and output and intermediate data, it is the basis of system works and application, therefore be necessary to develop relevant chromatogram analysis data storehouse and information management system, thus effective support be provided and ensure.
Job information storehouse and failure diagnosis information storehouse are the bases of stratographic analysis embedded controller, provide support for it provides parameter configuration, task to configure; The raw information of sample original chromatogram library storage sample, the information processed through chromatographic peak identification, baseline correction etc. exists in sample correction database; Fingerprint databases is the result of the process such as sample concentration calculating, TuPu method extraction.Systems management data storehouse is then for the configuration management of system, sample managing, the management of spectrogram peak type, chromatogram characteristic management, algorithm configuration management and system log management provide safeguard.
Information management function is the important component part of stratographic analysis work, managed by system configuration, realize the task management of controller, sample managing etc., by peak value management, TuPu method management, algorithm configuration management etc., application can be provided to provide effective support for chromatogram and process.
Robotization chromatographic data processing controls workstation comprises the modules such as Operation control management, data prediction, chromatogram treatment and analyses, can realize the operated from a distance of system, control, diagnosis, the fully automation control of management and system and data processing.
Robotization gas chromatograph central control unit comprises and robotization chromatographic data processing controls network of workstations communication interface; Interface with equipment such as full-automatic gas chromatography, automatic samplers, realizes from operations such as auto injection, data acquisition, temperature control, electronic gas flow (EFC, EPC) controls.
Claims (4)
1. a robotization gas chromatography control system, comprise robotization gas chromatograph central control unit, networking and data communication interface, robotization chromatographic data processing controls workstation and chromatogram analysis data storehouse, it is characterized in that robotization chromatographic data processing controls workstation comprises chromatogram treatment and analyses module, described chromatogram treatment and analyses module concrete grammar is as follows:
A. data prediction: any one chromatographic system all exists system noise, from the tiny signal that the simulating signal of chromatographic detector output is millivolt level, need to be amplified between-5 ~+5v through amplifier, being gathered by collecting device and being converted into digital signal is input in computing machine, this process is just often attended by larger random disturbance, have to pass through data prediction, noise filtering, noise filtering is realized by digital filtering, and pretreated digital filtering method comprises: the method for moving average, least square curve fitting method, damped least squares estimate filter method;
B. chromatographic peak identification: comprise the detection of each unique point on blob detection, peak, the identification of peak structure, the differentiation of adjacent peak overlap, spectrogram baseline correction, pass through mass spectrum database, just can obtain the position at peak in spectrogram and clean intensity, for follow-up qualitative, quantitative calculating provides foundation;
C. baseline correction: the baseline of chromatogram is the background signal of the system when not analyzing sample, the Background of instrument system need be deducted during computer chromatography peak size, namely need the area deducting below baseline to obtain the net area of chromatographic peak, because the content of test substance only has corresponding relation with the clean intensity of chromatographic peak, baseline in chromatogram often drifts about, twisted phenomena, belong to the low frequency noise like that width in chromatogram is greater than peak width level, when there is chromatographic peak in succession and being overlapping, the situation that baseline disappears also is there will be in spectrogram, spectrogram baseline correction method mainly contains: linear model method, high-order model method, dynamic model method,
D. chromatographic peak corrects: chromatographic peak ideally should be Gaussian-shaped curve, but for some potpourri, change the operating conditions of instrument in any case, be difficult to some component wherein is fully separated on spectrogram, which forms peak overlap phenomenon common in spectrogram, in order to Accurate Determining area, just need the correction carrying out chromatographic peak, namely overlap peak is split, when carrying out overlap peak segmentation, system mainly considers two kinds of common situations: connect peak type overlap peak and acromion type overlap peak, for the identification at the very bad peak of degree of separation, or run into the situation of Special Mixed sample, need manually to process, by user, peak height thresholding is set, smallest peaks area, and the size parameter of N value during grouping, thus make system reanalyse the data in this cycle, meet sample analysis and chromatographic peak correction,
E. peak height, calculated by peak area: peak height and peak area all can realize the quantitative test to chromatographic signal, the peak of peak height and chromatographic peak is to the vertical range of baseline, peak area is the basal ration data on chromatogram, the accuracy that peak area is measured directly affects quantitative result, first the chromatographic data that sampling obtains must identify each unique point of chromatographic peak by peak recognition function, then make the baseline of spectrogram, finally by integral function, integration is carried out to each chromatographic peak and obtain peak area;
F. sample concentration calculate: when analyzed sample chromatographic peak by chromatographic work station judge and integration after, system just can provide for the survey peak area of sample component or the data of peak height or store, carry out sample concentration calculating by these data, density calculating method comprises: area and peak height number percent, normalization method, external standard method, internal standard method;
G. TuPu method extracts: refer to extraction image information, point on image is divided into different subsets, one of its result extracts a series of discretize histogram relevant to time series, after chromatogram pre-service, chromatographic peak identification, baseline correction, sample concentration computing, the method can extracted by TuPu method, automatic or manual feature extraction is carried out to the chromatogram possessing characteristic feature, and is stored in relevant feature database, for fingerprint similarity analysis provides basic basis;
H. fingerprint similarity analysis: on the basis that TuPu method extracts, form the finger-print of discretize, be stored in fingerprint databases, for chromatographic fingerprinting similarity analysis provides reference.
2. a kind of robotization gas chromatography control system as claimed in claim 1, is characterized in that described robotization gas chromatograph central control unit comprises:
Data transmission module: the communication interface developing chromatography and analytical work station based on RJ45 network interface, meet the requirement that transmitted data amount between chromatographic work station and central control unit is large, realize any chromatographic work station and can directly control multiple stage chromatographic equipment
Auto injection control module: comprise solvent cleaning, sample clean, quantitative sampling, sequential operation control, fault detect, automatic sampler real-time multichannel PWM width modulation configuration injector multi-axis control system drives, thus form the controller of multi-functional integration, automatic sampler can provide online and off line two kinds of working methods
Multiple detector data collection: data communication interface comprises multiple detector data acquisition interface, order control interface and fault pre-alarming interface, based on embedded methods and communication control method, the communication interface of central control unit and automatic sampler, all kinds of detecting device adopts serial communication to be main;
The temperature of gas chromatography controls, electronic gas flow control and event control: control according to gas chromatography temperature, the demand of electronic gas flow control and event control, meet the multistage temperature program(me) intensification of multiple tracks, isothermal control overflow, meet the electronic gas flow control requirement of multiple gases
Fault diagnosis: adopt virtual instrument method, utilize software on device screen, form virtual instrument panel, under the support of hardware, equipment state is detected, hardware configuration selects data acquisition board as data acquisition equipment, the response time that software merit rating is received and dispatched by instruction, analyze signal, adopt expert system, neural network, fault tree analysis method carries out fault analysis and diagnosis.
3. a kind of robotization gas chromatography control system as claimed in claim 1, is characterized in that described networking and data communication interface comprise:
Long-distance Control: realize GC networking, realize Long-distance Control by network joint, can control the operation of online equipment by command string, control program at server end;
Remote detection: realize remote detection by network joint, can detect state, the ruuning situation of online equipment, make Performance Evaluation to online equipment at server end;
Remote diagnosis: realize remote diagnosis by network joint, can by the self study experience in information state storehouse at server end, and diagnosis detects the ruuning situation of online equipment and differentiates its failure condition;
Telemanagement: realize telemanagement by network joint, can require to make laboratory operation management to online equipment by information management at server end.
4. a kind of robotization gas chromatography control system as claimed in claim 1, it is characterized in that described chromatogram analysis data storehouse comprises job information storehouse, failure diagnosis information storehouse, systems management data storehouse, sample correction database, fingerprint databases, job information storehouse and failure diagnosis information storehouse are the bases of stratographic analysis embedded controller, provide support for it provides parameter configuration, task to configure; The raw information of sample original chromatogram library storage sample, the information processed through chromatographic peak identification, baseline correction etc. exists in sample correction database; Fingerprint databases is that sample concentration calculates, the result of TuPu method extraction process, and systems management data storehouse is then for the configuration management of system, sample managing, the management of spectrogram peak type, chromatogram characteristic management, algorithm configuration management and system log management provide safeguard.
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| CN104914760A (en) * | 2015-05-12 | 2015-09-16 | 山东成泰化工有限公司 | Chromatography analysis data submission control method and device |
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