Compound mass spectrum information batch retrieval method based on R language
A compound and spectrum information technology, applied in the computer field, can solve problems such as time-consuming and labor-intensive efficiency, cumbersome process, and limited database retrieval, and achieve the effect of shortening the sorting time, avoiding instability, and reducing the time for sorting out reports
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[0046] Embodiments of the present invention are described in detail below, examples of which are shown in the drawings, wherein the same or similar reference numerals denote the same or similar elements or elements having the same or similar functions throughout. The embodiments described below by referring to the figures are exemplary only for explaining the present invention and should not be construed as limiting the present invention.
[0047] A batch retrieval method for compound mass spectrum information based on R language, such as Figure 8 shown, including the following steps:
[0048] Step 1: Import the MoNA database as the main database for retrieval, and enter the list to be retrieved;
[0049] Step 2: Use the feature label "Name:" to determine the English names and positions of all compounds in the parent library, construct the data vector "position", and record the position information of each compound English name in the parent library; The position of the nam...
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