JPH01105147A - Output system for nmr spectrum - Google Patents

Abstract

PURPOSE:To improve processing efficiency by reading stored NMR spectrum data and enlarging and outputting the spectrum in a cut area to an enlargement output area stored in a table. CONSTITUTION:The title output system consists of a spectrum data file 1, a display control part 2, the table 6, an input part 7, a control part 8, etc. Further, display area information for enlarging and displaying cut area information and its area is registered in the table 6. Then when an instruction for displaying the entire spectrum is inputted from an input part 7, the control part 2 reads data out of the file 1 and displays the NMR spectrum on the screen of a display part 3. Then when there is a part to be enlarged and seen, the input part 7 is operated to move a cursor, thereby specifying a cut area. Then while the data from the file 1 is inputted, coordinates on the display part 3 are calculated to display the NMR spectrum on the screen.

Description

DETAILED DESCRIPTION OF THE INVENTION [Industrial Application Field] The present invention relates to an NMR spectrum output method in which a part of an NMR spectrum is enlarged and output in a superimposed manner.

[Conventional technology]

In NMR (nuclear magnetic resonance) measurement, various spectra are obtained, and these obtained spectra are analyzed,
When processing, it is necessary to confirm the entire spectrum (confirm the chemical shift value), confirm the splitting of the spectrum at a specific site (confirm the coupling constant), etc. Therefore,
In order to perform such confirmation, conventionally, the entire spectrum is displayed in the former case, and a specific part is enlarged in the latter case, depending on whether the NMR spectrum is displayed in whole or in part. is switched and output on the CRT.

[Problem that the invention seeks to solve]

However, when looking at the splitting of a spectrum at a specific site, for example, only a portion of the spectrum is displayed, making it impossible to view multiple sites with large chemical shifts at the same time, and when checking the entire spectrum, Since the resolution of CRT is about 1024 points at most, there is a problem in that it is not possible to clearly display all the NMR spectra, which usually exceeds 10000 points.

The present invention solves the above-mentioned problems, and aims to provide an NMR spectrum output method that can simultaneously confirm the entire spectrum and confirm the splitting of the spectrum in a specific region. be.

[Means for solving problems]

For this purpose, the NMR spectrum output method of the present invention is
A file for storing MR spectrum data, a spectrum output control means for reading and outputting NMR spectrum data from the file, and an area input means for specifying and inputting a cutout region and an enlarged output region from the spectrum displayed on the screen of the spectrum output means. , and a table storing a cutout area and an enlarged output area, and the spectrum output control means enlarges and outputs the spectrum of the cutout area to the enlarged display area stored in the table.

[Effect]

In the NMR spectrum output method of the present invention, when a region input means specifies and inputs a cutout region and an enlarged output region from the spectrum displayed on the screen of the spectrum output means, each region is stored in a table, and the spectrum output control means Accordingly, the spectrum of the cutout region is outputted to the enlarged output region as the whole spectrum and the enlarged spectrum of the partial spectrum according to the enlargement magnification.

〔Example〕

Examples will be described below with reference to the drawings.

Figure 1 shows one of the NMR spectrum output methods according to the present invention.
FIG. 2 is a diagram showing an example configuration of a display control table, FIG. 3 is a diagram showing the flow of processing on a display screen, and FIG. 4 is a diagram for explaining the flow of processing. .

In FIG. 1, 1 is a spectrum data file, 2 is a display control section, 3 is a display section, 4 is a print control section, 5 is a print section, 6 is a table, 7 is an input section, and 8 is a control section. Data file 1 is a storage device such as an external memory or disk in which NMR measurement data is stored, and table 6 displays information on the cutout area and enlarged spectrum of the area as shown in Figure 2 when outputting spectrum data. The display control unit 2 and print control unit 4, which register display area information to be displayed, perform control to read data from the spectrum data file 1 and output the NMR spectrum to the display unit 3 and print unit 5, respectively. The display section 3 is a CRT (television monitor), and the printing section 5 is a CRT (television monitor), and the printing section 5 is a CRT (television monitor). This is an output device such as an XY plotter that can print out the spectrum of . The input unit 7 includes a keyboard and a joystick, and is used to input commands and processing information for spectral data output processing. Control unit 8
analyzes the information input from the input section 7 and creates the table 6.
, and controls the display control section 2 and print control section 5. When a spectrum display command is input from the input section 7, it controls the display control section 2 and stores the spectrum data in the spectral data file 1. When the NMR spectrum is displayed on the display section 3 and the cutting area and display area are input from the input section 7 by operating a cursor on the display screen, the 0 display control section 2 registers the information in the table 6.
In accordance with the information registered in this table 6, the NMR spectrum at the cutting position is enlarged and displayed in the display area. When printing out, the print control section 4 and the printing section 5 perform similar processing.

Next, the overall processing flow will be explained with reference to FIGS. 3 and 4.

(2) First, when a command to display the entire spectrum is input from the keyboard of the input section 7, the control section 8 analyzes this and operates the display control section 2.

The display control section 2 takes in data from the spectrum data file 1, calculates coordinates on the display section 3 so that the values of each data can be displayed on the display section 3, and displays the NMR spectrum on the screen. This entire spectrum is also stored in the internal memory (frame memory) of the display unit 3.

■ If there is a part you want to enlarge, move the red crane to the cross displayed on the screen by operating the input section 7,
The lower left corner (Pl in FIG. 3 [al]) and the upper right corner (p in FIG. 3 (bl)) of the region to be cut out are specified.

■ Next, move the crosshair cursor in the same way to specify the lower left corner (P in Figure 3 (e)) and upper right corner (P4 in Figure 3 (dl)) of the display area of the cut out part. Through these operations, the enlarged display data PICI table shown in FIG. 2 is created, and the display area and displayable resolution on the display section 3 are determined.

■,■ Therefore, from the size of the display area and the size of the spectral data, calculate the number of display points and the number of cutout points commensurate with the resolution, and ■ While importing data from spectral data file 1, display the value of each data on the display. 3. Calculate the coordinates on the display unit 3 so that the NMR spectrum can be displayed on the screen (Figure 3 (e))
.

This partial spectrum is also stored in the internal memory (frame memory) of the display section 3.

FIG. 5 is a diagram illustrating a modification of the method of inputting a partial cutout area and a partial display area. In the above example, the lower left corner and upper right corner of the area were specified, but as shown in FIG. Set it to corner A. Then, when moving it to the upper right corner of the cutout area,
The same applies to the 0 display area, in which the cutout area may be clearly displayed in a rectangular frame by sequentially enlarging and displaying the rectangles as shown in FIG. In this way, each area can be clearly visually confirmed.

In addition, the present invention is not limited to the above embodiments, and various modifications are possible.

〔Effect of the invention〕

As is clear from the above explanation, according to the present invention, spectral data can be displayed on the same screen for both the entire spectrum and partial spectra, so information necessary for analyzing and determining NMR spectra can be viewed at once. , it is possible to improve the processing efficiency. Furthermore, by storing spectra drawn at -degrees in the internal memory of the display section, the burden on the host computer can be reduced even when a plurality of partial spectra are drawn at once.

[Brief explanation of the drawing]

Figure 1 shows one of the NMR spectrum output methods according to the present invention.
2 is a diagram showing an example of the configuration of a display control table; FIG. 3 is a diagram showing the flow of processing on a display screen; FIG. 4 is a diagram for explaining the flow of processing; FIG. 5 is a diagram illustrating a modification of the method of inputting a partial cutout area and a partial display area. DESCRIPTION OF SYMBOLS 1... Spectrum data file, 2... Display control section, 3... Display section, 4... Print control section, 5... Printing section, 6... Table, 7... Input section , 8...control unit. Applicant: JEOL Co., Ltd. Agent: Patent attorney Ryukichi Abe (2 others) Figure 3 (e)

Claims (3)

[Claims] (1) An NMR spectrum output method in which a part of the NMR spectrum is enlarged and output in a superimposed manner, including a file for storing NMR spectrum data, a spectrum output control means for reading and outputting NMR spectrum data from the file, and the spectrum. The spectrum output control means includes a region input means for specifying and inputting a cutout region and an enlarged output region from the spectrum displayed on the screen of the output means, and a table for storing the cutout region and the enlarged output region, and the spectrum output control means includes An NMR spectrum output method characterized by outputting an enlarged spectrum of a cut-out region to an enlarged display area. (2) The NMR according to claim 1, wherein the area input means inputs the coordinates of two points in a rectangular area.
Spectrum output method. (3) The NMR according to claim 1, wherein the spectrum output control means outputs the entire spectrum and makes a part of the output region an enlarged output region.
Spectrum output method.