CN107995237B - Spectrum data compatibility method and system - Google Patents
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- CN107995237B CN107995237B CN201610952178.5A CN201610952178A CN107995237B CN 107995237 B CN107995237 B CN 107995237B CN 201610952178 A CN201610952178 A CN 201610952178A CN 107995237 B CN107995237 B CN 107995237B
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Abstract
The invention discloses a method and a system for spectrum data compatibility, which comprises the following steps: the server receives a plurality of spectrum data packets which are sent by different spectrum instruments and are subjected to data encryption and data compression; judging whether the spectrum data packet has abnormal data transmission condition, if not, decompressing and decrypting to obtain the spectrum data packet, and storing all information in the spectrum data packet into a database; analyzing the spectral quality of the spectral information in each spectral data packet, and preprocessing the spectral data in the spectral data packet to obtain optimized spectral data when the spectral quality in the spectral data packet meets the standard; outputting the information that the spectrum quality in the spectrum data packet does not meet the standard; the server side stores the optimized spectrum data into a standard database. The invention can be compatible with the spectral data transmitted by different instruments, so that the application range of the invention is wider, and more spectral data can be added into a database for subsequent analysis.
Description
Technical Field
The present invention relates to analysis of spectral data of a drug, and more particularly, to a method and system for compatibility of spectral data.
Background
At present, most of network databases built by servers have good compatibility, namely personalized customization, only for instrument data, information and the like with models customized in advance, and spectral data, information and the like collected by other spectral instruments cannot be received or put in storage, so that great troubles are brought to realization of databases built by participation of the whole people, and data sharing is difficult to realize. In addition, aiming at the field of spectral analysis of medicines, the existing process which can not establish a database systematically is improved and perfected, spectral data transmitted by different instruments can be established, and integrated discriminant analysis, such as quality control and the like, can be realized so as to screen out the function of the spectral data which meets a certain standard.
Disclosure of Invention
The technical problem to be solved by the invention is to provide a method and a system for spectrum data compatibility, in order to overcome the defects that the server side for processing spectrum data to be stored in a database in the prior art has poor compatibility and a perfect and effective spectrum data storage process does not exist.
The invention solves the technical problems through the following technical scheme:
the invention provides a method for compatible spectral data, which is characterized by comprising the following steps:
s1, a service end receives a plurality of spectrum data packets which are sent by different spectrum instruments through API interfaces and are subjected to data encryption and data compression, each spectrum data packet comprises a spectrum information list and a medicine information list, and spectrum information in the spectrum information list corresponds to medicine information in the medicine information list one by one;
s2, judging whether the received spectrum data packet has data transmission abnormal condition, if not, entering step S3, otherwise, entering step S8;
s3, the server side obtains the spectrum data packet through data decompression and data decryption, and stores all information in the spectrum data packet into an SQL database;
s4, the server analyzes the spectrum quality of the spectrum information in each spectrum data packet, and if the spectrum quality of the spectrum information in the spectrum data packet meets a set standard, the step S5 is executed, otherwise, the step S7 is executed;
s5, preprocessing the spectrum data in the spectrum data packet by the server to obtain optimized spectrum data;
s6, the server stores the optimized spectrum data into a standard database;
s7, the server side outputs the information that the spectrum quality in the spectrum data packet does not reach the standard;
and S8, the server side outputs the information of the data transmission abnormity.
Preferably, in step S6, the server performs similarity matching between the optimized spectrum data and the optimized spectrum data stored in the standard database, if the similarity between the optimized spectrum data and a certain stored optimized spectrum data in the standard database is greater than a set threshold, it is determined whether the name of the drug corresponding to the optimized spectrum data is the same as the name of the drug corresponding to the matched optimized spectrum data, if so, step S7 is performed, otherwise, step S9 is performed: and the server outputs information that the spectrum data in the spectrum data packet does not meet the warehousing requirement.
Preferably, the spectrum information includes a spectrogram and a warehousing operation request, and the drug information includes a drug name, an approval document number of the drug, a manufacturer, a production lot, and an instrument model.
Preferably, step S4 includes the following steps:
s41, the server side judges whether the number of the spectrogram in the spectrum data packet is larger than a first set value, if so, the step S42 is executed, otherwise, the step S45 is executed;
s42, the server side, for each spectrogram in the spectrum data packet: judging whether the Raman shift range of the spectrogram is within a set shift range, if so, keeping the spectrogram and entering the step S43, otherwise, abandoning the spectrogram;
s43, the server side, for each spectrogram retained in the spectrum data packet: judging whether the number of the adjacent Raman intensity values in the spectrogram exceeding a second set value is smaller than a third set value, if so, keeping the spectrogram and entering the step S44, otherwise, abandoning the spectrogram;
s44, the server side, for each spectrogram retained in the spectrum data packet: judging whether the spectrogram has a peak inversion or not, if not, keeping the spectrogram and entering the step S5, otherwise, abandoning the spectrogram;
and S45, the server outputs the information that the spectrum quality in the spectrum data packet does not reach the standard.
The invention also provides a spectrum data compatible system, which is characterized in that the system is realized by utilizing a server, and the server comprises:
the receiving module is used for receiving a plurality of spectrum data packets which are sent by different spectrum instruments through API interfaces and are subjected to data encryption and data compression, each spectrum data packet comprises a spectrum information list and a medicine information list, and spectrum information in the spectrum information list corresponds to medicine information in the medicine information list one by one;
the first judgment module is used for judging whether the received spectrum data packet has abnormal data transmission condition, if not, an analysis module is called, and otherwise, a first output module is called;
the analysis module is used for obtaining the spectrum data packet through data decompression and data decryption and storing all information in the spectrum data packet into an SQL database;
the analysis module is used for analyzing the spectral quality of the spectral information in each spectral data packet, calling the preprocessing module when the spectral quality of the spectral information in the spectral data packet meets a set standard, and calling the second output module if the spectral quality of the spectral information in the spectral data packet does not meet the set standard;
the preprocessing module is used for preprocessing the spectral data in the spectral data packet to obtain optimized spectral data;
the storage module is used for storing the optimized spectrum data into a standard database;
the second output module is used for outputting information that the spectrum quality in the spectrum data packet does not reach the standard;
the first output module is used for outputting the information of data transmission abnormity.
Preferably, the system for spectrum data compatibility further comprises a matching module, a third judging module and a third output module;
the matching module is used for matching the similarity between the optimized spectrum data and the optimized spectrum data stored in the standard database, if the similarity between the optimized spectrum data and a certain stored optimized spectrum data in the standard database is greater than a set threshold, the third judging module is called to judge whether the medicine name corresponding to the optimized spectrum data is the same as the medicine name corresponding to the matched optimized spectrum data, if so, the storage module is called, and if not, the third output module is called to output the information that the spectrum data in the spectrum data packet does not meet the warehousing requirement.
Preferably, the spectrum information includes a spectrogram and a warehousing operation request, and the drug information includes a drug name, an approval document number of the drug, a manufacturer, a production lot, and an instrument model.
Preferably, the analysis module comprises:
a first judging unit for judging whether the number of the spectrogram in the spectral data packet is greater than a first set value, if so, calling a second judging unit, otherwise, calling the second output module;
the second judging unit is used for aiming at each spectrogram in the spectrum data packet: judging whether the Raman displacement range of the spectrogram is within a set displacement range, if so, a retention unit is used for retaining the spectrogram and calling a third judgment unit, and if not, a abandon unit is used for abandoning the spectrogram;
the third judging unit is used for aiming at each spectrogram reserved in the spectrum data packet: judging whether the number of adjacent Raman intensity values in the spectrogram exceeding a second set value is smaller than a third set value, if so, calling the retention unit and a fourth judgment unit, and otherwise, calling the abandon unit;
the fourth judging unit is configured to, for each spectrogram retained in the spectral data packet: and judging whether the spectrogram has a peak inversion or not, if not, calling the retention unit and a fifth judgment unit, otherwise, calling the abandoning unit.
On the basis of the common knowledge in the field, the above preferred conditions can be combined randomly to obtain the preferred embodiments of the invention.
The positive progress effects of the invention are as follows:
the invention can receive the spectrum data transmitted by different spectrum instruments through the API interface, has strong compatibility, and has wider application range, thereby ensuring that more spectrum data are added into the database and being beneficial to establishing and perfecting the standard database in the server.
In addition, in order to bring a more convenient medicine spectrum data acquisition path to a great number of medicine analysis workers, the final spectrum data is ensured to meet the preset quality analysis requirement through a series of spectrum quality control processes, pretreatment processes and the like, and finally, the spectrum data is added into a database for all users to share. Meanwhile, a foundation is laid for establishing a database, efficiently sharing the database and quickly obtaining a medicine analysis result for the whole people.
Drawings
FIG. 1 is a flow chart of a method for spectrum data compatibility according to a preferred embodiment of the invention.
FIG. 2 is a block diagram of a system for spectrum data compatibility according to a preferred embodiment of the present invention.
Detailed Description
In order to make the objects, technical solutions and advantages of the embodiments of the present invention clearer, the technical solutions in the embodiments of the present invention will be clearly and completely described below with reference to the drawings in the embodiments of the present invention, and it is obvious that the described embodiments are some, but not all, embodiments of the present invention. All other embodiments, which can be obtained by a person skilled in the art without any inventive step based on the embodiments of the present invention, are within the scope of the present invention.
As shown in fig. 1, the present embodiment provides a method for spectrum data compatibility, which is implemented by a server, and the method includes the following steps:
in step 101, the server receives a plurality of spectrum data packets which are sent by different spectrum instruments and are subjected to data encryption (for example, MD5 encryption algorithm) and data compression (for example, zip compression) through API interfaces of the server, each spectrum data packet includes a spectrum information list and a drug information list, and spectrum information in the spectrum information list corresponds to drug information in the drug information list one to one.
The spectrum information comprises a spectrogram, a spectrum response value, a spectrum wave number range and a warehousing operation request, and the medicine information comprises a medicine name, an approval document number of the medicine, a manufacturer, a production batch and an instrument model.
And 103, the server side obtains the spectrum data packet after data decompression and data decryption, and stores all information in the spectrum data packet into an SQL database.
And 104, analyzing the spectral quality of the spectral information in each spectral data packet by the server, entering step 105 when the spectral quality of the spectral information in the spectral data packet meets a set standard, and entering step 109 otherwise.
And 105, preprocessing the spectrum data in the spectrum data packet by the server to obtain optimized spectrum data.
And 107, performing similarity matching on the optimized spectrum data and the optimized spectrum data stored in the standard database, if the similarity between the optimized spectrum data and a certain stored optimized spectrum data in the standard database is greater than a set threshold, judging whether the drug name corresponding to the optimized spectrum data is the same as the drug name corresponding to the matched optimized spectrum data, if so, entering step 108, and otherwise, entering step 111.
And step 109, the server outputs the information that the spectrum quality in the spectrum data packet does not reach the standard.
And step 110, the server outputs the information of the data transmission abnormity.
And step 111, the server outputs information that the spectrum data in the spectrum data packet does not meet the warehousing requirement.
For the spectral quality analysis process in step 104, as shown in fig. 2, the following steps may be further detailed:
s41, the server determines whether the number of spectrograms in the spectral data packet is greater than a first set value (e.g., 6), if so, proceeds to step S42, and if less than 6, proceeds to step S47.
S42, the server side, for each spectrogram in the spectrum data packet: and judging whether the Raman shift range of the spectrogram is within a set shift range, if so, keeping the spectrogram and entering the step S43, otherwise, discarding the spectrogram.
For example, whether the minimum value in the raman shift range of the spectrogram is less than or equal to 200 and the maximum value is greater than or equal to 2600 is judged, if so, the spectrogram is retained, otherwise, the spectrogram is rejected if the situation shows that the spectrogram does not meet the requirements.
S43, the server side, for each spectrogram retained in the spectrum data packet: determining whether the number of adjacent raman intensity values in the spectrogram exceeding a second set value is less than a third set value (e.g., 5), if so, retaining the spectrogram and proceeding to step S44, otherwise, discarding the spectrogram.
S44, the server side, for each spectrogram retained in the spectrum data packet: and judging whether the spectrogram has a peak inversion or not, if not, keeping the spectrogram and entering the step S105, otherwise, abandoning the spectrogram.
And S45, the server outputs the information that the spectrum quality in the spectrum data packet does not reach the standard.
As shown in fig. 2, the present embodiment further provides a system for spectrum data compatibility, which is implemented by using a server, and the server includes a receiving module 1, a first determining module 2, an analyzing module 3, a first output module 4, an analyzing module 5, a preprocessing module 6, a second output module 7, a second determining module 8, a matching module 9, a third determining module 10, a third output module 11, and a storage module 12.
The above describes each functional module included in the spectral data compatibility system, and the following specifically describes the functions of each functional module:
the receiving module 1 is configured to receive, through an API interface of the receiving module, a plurality of spectrum data packets which are sent by different spectrum instruments and are subjected to data encryption and data compression, where each spectrum data packet includes a spectrum information list and a medicine information list, and spectrum information in the spectrum information list corresponds to medicine information in the medicine information list one to one;
the first judging module 2 is used for judging whether the received spectrum data packet has abnormal data transmission condition, if not, the analyzing module 3 is called, otherwise, the first output module 4 is called to output abnormal data transmission information;
the analysis module 3 is used for obtaining the spectrum data packet through data decompression and data decryption, and storing all information in the spectrum data packet into an SQL database;
the analysis module 5 is configured to analyze the spectral quality in each spectral data packet, call the preprocessing module 6 when the spectral quality in the spectral data packet meets a set standard, and otherwise call the second output module 7 to output information that the spectral quality in the spectral data packet does not meet the standard;
the preprocessing module 6 is configured to preprocess the spectral data in the spectral data packet to obtain optimized spectral data;
the second judging module 8 is configured to judge whether the operation request for optimizing the spectrum data is a warehousing operation request, if so, invoke the matching module 9 to perform similarity matching between the optimized spectrum data and optimized spectrum data already stored in the standard database, if the similarity between the optimized spectrum data and a certain stored optimized spectrum data in the standard database is greater than a set threshold, invoke the third judging module 10 to judge whether a drug name corresponding to the optimized spectrum data is the same as a drug name corresponding to the matched optimized spectrum data, if so, invoke the storage module, otherwise, invoke the third output module 11 to output information that the spectrum data in the spectrum data packet does not meet the warehousing requirement;
the storage module 12 is used to store the optimized spectrum data into a standard database.
While specific embodiments of the invention have been described above, it will be appreciated by those skilled in the art that these are by way of example only, and that the scope of the invention is defined by the appended claims. Various changes and modifications to these embodiments may be made by those skilled in the art without departing from the spirit and scope of the invention, and these changes and modifications are within the scope of the invention.
Claims (7)
1. A method of spectral data compatibility, comprising the steps of:
s1, a service end receives a plurality of spectrum data packets which are sent by different spectrum instruments through API interfaces and are subjected to data encryption and data compression, each spectrum data packet comprises a spectrum information list and a medicine information list, and spectrum information in the spectrum information list corresponds to medicine information in the medicine information list one by one;
s2, judging whether the received spectrum data packet has data transmission abnormal condition, if not, entering step S3, otherwise, entering step S8;
s3, the server side obtains the spectrum data packet through data decompression and data decryption, and stores all information in the spectrum data packet into an SQL database;
s4, the server analyzes the spectrum quality of the spectrum information in each spectrum data packet, and if the spectrum quality of the spectrum information in the spectrum data packet meets a set standard, the step S5 is executed, otherwise, the step S7 is executed;
s5, preprocessing the spectrum data in the spectrum data packet by the server to obtain optimized spectrum data;
s6, the server side judges whether the operation request of the optimized spectrum data is a warehousing operation request, if yes, similarity matching is carried out on the optimized spectrum data and optimized spectrum data stored in a standard database, if the similarity of the optimized spectrum data and one stored optimized spectrum data in the standard database is larger than a set threshold value, whether a medicine name corresponding to the optimized spectrum data is the same as a medicine name corresponding to the matched optimized spectrum data is judged, and if yes, the server side stores the optimized spectrum data into a standard database;
s7, the server side outputs the information that the spectrum quality in the spectrum data packet does not reach the standard;
s8, the server side outputs the abnormal information of data transmission;
in step S4, the analysis process of the spectral quality includes the following steps:
s41, the server side judges whether the number of the spectrogram in the spectrum data packet is larger than a first set value, if so, the step S42 is executed, and if not, the step S45 is executed;
s42, the server side, for each spectrogram in the spectrum data packet: judging whether the Raman shift range of the spectrogram is within a set shift range, if so, keeping the spectrogram and entering the step S43, otherwise, abandoning the spectrogram;
s43, the server side, for each spectrogram retained in the spectrum data packet: judging whether the number of the adjacent Raman intensity values in the spectrogram exceeding a second set value is smaller than a third set value, if so, keeping the spectrogram and entering the step S44, otherwise, abandoning the spectrogram;
s44, the server side, for each spectrogram retained in the spectrum data packet: judging whether the spectrogram has a peak inversion or not, if not, keeping the spectrogram and entering the step S5, otherwise, abandoning the spectrogram;
and S45, the server outputs the information that the spectrum quality in the spectrum data packet does not reach the standard.
2. The method for making spectrum data compatible according to claim 1, wherein in step S6, when the server determines that the drug name corresponding to the optimized spectrum data is different from the drug name corresponding to the matched optimized spectrum data, the method proceeds to step S9: and the server outputs information that the spectrum data in the spectrum data packet does not meet the warehousing requirement.
3. The method for spectral data compatibility according to claim 1, wherein the spectral information comprises a spectrogram and a warehousing operation request, and the drug information comprises a drug name, an approved reference number for the drug, a manufacturer, a production lot, and an instrument model.
4. A system for spectral data compatibility, implemented using a server, the server comprising:
the receiving module is used for receiving a plurality of spectrum data packets which are sent by different spectrum instruments through API interfaces and are subjected to data encryption and data compression, each spectrum data packet comprises a spectrum information list and a medicine information list, and spectrum information in the spectrum information list corresponds to medicine information in the medicine information list one by one;
the first judgment module is used for judging whether the received spectrum data packet has abnormal data transmission condition, if not, an analysis module is called, and otherwise, a first output module is called;
the analysis module is used for obtaining the spectrum data packet through data decompression and data decryption and storing all information in the spectrum data packet into an SQL database;
the analysis module is used for analyzing the spectral quality of the spectral information in each spectral data packet, calling the preprocessing module when the spectral quality of the spectral information in the spectral data packet meets a set standard, and calling the second output module if the spectral quality of the spectral information in the spectral data packet does not meet the set standard;
the preprocessing module is used for preprocessing the spectral data in the spectral data packet to obtain optimized spectral data;
the storage module is used for storing the optimized spectrum data into a standard database;
the second output module is used for outputting information that the spectrum quality in the spectrum data packet does not reach the standard;
the first output module is used for outputting the information of data transmission abnormity;
the matching module is used for matching the similarity between the optimized spectrum data and the optimized spectrum data stored in the standard database, and calling the third judging module if the similarity between the optimized spectrum data and one stored optimized spectrum data in the standard database is greater than a set threshold value;
the third judging module is used for judging whether the medicine name corresponding to the optimized spectrum data is the same as the medicine name corresponding to the matched optimized spectrum data or not, and if so, the storage module is called;
the analysis module is further configured to determine whether the number of the spectrograms in the spectral data packet is greater than a first set value, if the number of the spectrograms is less than the first set value, call the second output module, and if the number of the spectrograms is greater than the first set value, for each of the spectrograms in the spectral data packet: judging whether the Raman shift range of the spectrogram is within a set shift range, if not, discarding the spectrogram, and if so, retaining the spectrogram and aiming at each spectrogram retained in the spectrum data packet: judging whether the number of the adjacent Raman intensity values in the spectrogram exceeding a second set value is smaller than a third set value, if not, abandoning the spectrogram, if so, reserving the spectrogram and aiming at each spectrogram reserved in the spectrum data packet: and judging whether the spectrogram has a peak inversion or not, if not, retaining the spectrogram and calling a preprocessing module, otherwise, discarding the spectrogram.
5. The spectral data compatibility system of claim 4, further comprising a third output module,
when the third judging module judges that the medicine name corresponding to the optimized spectrum data is different from the medicine name corresponding to the matched optimized spectrum data, the third judging module calls the third output module to output the information that the spectrum data in the spectrum data packet does not meet the warehousing requirement.
6. The system for spectral data compatibility of claim 4, wherein the spectral information comprises a spectrogram and a warehousing operation request, and the drug information comprises a name of the drug, an approved reference number for the drug, a manufacturer, a manufacturing lot, and a model of the instrument.
7. The spectral data compatibility system of claim 6, wherein said analysis module comprises:
a first judging unit for judging whether the number of the spectrogram in the spectral data packet is greater than a first set value, if so, calling a second judging unit, otherwise, calling the second output module;
the second judging unit is used for aiming at each spectrogram in the spectrum data packet: judging whether the Raman displacement range of the spectrogram is within a set displacement range, if so, a retention unit is used for retaining the spectrogram and calling a third judgment unit, and if not, a abandon unit is used for abandoning the spectrogram;
the third judging unit is used for aiming at each spectrogram reserved in the spectrum data packet: judging whether the number of adjacent Raman intensity values in the spectrogram exceeding a second set value is smaller than a third set value, if so, calling the retention unit and a fourth judgment unit, and otherwise, calling the abandon unit;
the fourth judging unit is configured to, for each spectrogram retained in the spectral data packet: and judging whether the spectrogram has a peak inversion or not, if not, calling the retention unit and a fifth judgment unit, otherwise, calling the abandoning unit.
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