A data format processing method

A processing method and data format technology, applied in the field of diffraction spectrum data format processing, can solve the problem of loss of effective data in original diffraction spectrum data, etc.

Active Publication Date: 2021-11-19
NANJING UNIV
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Problems solved by technology

[0006] In view of the deficiencies in the prior art above, the purpose of the present invention is to provide a data format processing method to solve the loss of original diffraction spectrum data read by the early version of Jade software (currently the most commonly used X-ray diffraction data analysis software in China) The problem with valid data

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Embodiment

[0039] Step 101: Use the built-in Tkinter module of Python to write a user interface, allowing the user to select the path of the diffraction data file. Use the built-in file dialogue serial port of the Tkinter module to ask the user to process the diffraction data file (*.asc), and store the selected asc file as a list. Specific code: filelist=filedialog.askopenfilenames(filetypes=[("asc","*.asc"),("all","*.*")]).

[0040] Step 102: For loop through the diffraction data file list obtained in step 101, use the built-in reading file command Open of the Python computer programming language to decode and read the original diffraction spectrum data file (*.asc) in UTF-8 format. The read data is saved using the variable Current_file.

[0041] Step 103: In the original diffraction spectrum data file, the first 60 lines are diffractometer parameter data, the data from line 61 to the last third line are diffraction intensity data, and the second last line is the file end marker (*END...

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Abstract

The invention discloses a data format processing method, comprising the following steps: 1) reading the original diffraction spectrum file, extracting the diffraction intensity data and diffractometer parameter data in the file; 2) obtaining the decimal point shift processing parameters, and according to the obtained shift processing parameters, and perform decimal point shift processing on the diffraction intensity data in the above step 1) to obtain the processed diffraction intensity data; 3) integrate the diffractometer parameter data in the above step 1) and the processing in the above step 2) The obtained diffraction intensity data to obtain a new diffraction spectrum data file; 4) store the new diffraction spectrum data file obtained after integration in the above step 3). The method of the present invention performs data processing on the diffraction spectrum data, performs decimal point shift processing on the diffraction spectrum data, eliminates the fractional part of the diffraction spectrum, and retains the precision of the original diffraction spectrum data.

Description

technical field [0001] The invention relates to the technical field of data processing, and specifically refers to a method for processing the format of diffraction spectrum data generated by an X-ray diffractometer. Background technique [0002] The X-ray diffraction pattern obtained by the traditional X-ray diffractometer is processed by the supporting software of the X-ray diffractometer to generate the original diffraction spectrum data file (*.asc). Diffraction spectrum data mainly describe the change of diffraction intensity with the change of diffraction angle. [0003] Diffraction spectrum data mainly consists of two parts: diffractometer parameter data and diffraction intensity data. The diffractometer parameter data includes information such as the X-ray type, X-ray wavelength, diffractometer slit type, and detector type of the X-ray diffractometer; the diffraction intensity data is the diffraction intensity obtained at different diffraction angles, generally thou...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16H30/40
CPCG16H30/40
Inventor 潘宇观张莹刚李伟强杨涛
Owner NANJING UNIV
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