JPS6273149A - Two-dimensional nuclear magnetic resonance apparatus - Google Patents

Abstract

PURPOSE:To perform accurate data processing suitable for the kinds of various two-dimensional nuclear magnetic resonance spectrums, by imparting a code, which identifies a sequence, as label data belonging to the two-dimensional nuclear magnetic resonance data. CONSTITUTION:An operator uses an input device 16 and gives instruction for measurement of two-dimensional correlation spectrums to a computer. At this time, the computer reads two-dimensional correlation-pulse-sequence data out of a sequence file 13 for an identifying code AAA. The data is sent to a pulse programmer 12. The identifying code is stored and used as a label for measured data. Based on the sequence data sent from the computer, the pulse programmer 12 generates various timing signals for measuring the two-dimensional correlation spectrums.

Description

DETAILED DESCRIPTION OF THE INVENTION [Application field 1 of [ρ′r, chestnut] This book relates to a two-dimensional nuclear magnetic jf-sounding device and a two-dimensional N~IR device).

[Prior art 1] There are many 1·l j; l'i in two-dimensional NMR measurement, such as the second-order correlation, J correlation, C11 correlation, and multi-17 correlation.
Each; The measured T-ta is 2
A small Fourie I′ bowl is applied, so that the two-dimensional spectrum lj:j /−ta is obtained, for example, as shown in FIGS.
Thank you very much! Figure 1(a) shows an example of two-dimensional correlation vectors 1 to 1, and FIG. Only the data is displayed on 11-1 to 1-16, so-called contour line display 'C', and there are 12 dashed lines. Two-dimensional subek by shadow processing [~le's l1lt listen []] 2-4 is tj', next to it.

[Problem 1 to be solved by the invention However, the γ-
Because of the nature of the data, specific procedures and methods are responsible for processing the original data, even if it is the same symmetric processing. That is, in the case of the two-dimensional correlation spectrum shown in Figure 4 (a), it is sufficient to judge whether the peaks exist symmetrically across the reference line, but the J correlation spectrum shown in Figure 4 (b) In 1 hell, it intersects with the reference line at a predetermined angle l)' + nj) ii'jt
! - It is not necessary to check whether the peak at 11) is within the range from the reference line. Therefore, the Δperator must perform correct data processing according to the used seedance, but for example, data processing must be performed after measuring IU II')
Conventionally, even if the A verator determines which measurement sequence was used to obtain the χ・1 data of the processing Pe, the A verator selects the method and sends J5 to the A pelleter. Then there was still the possibility of changing ffl I7' to 11i.

The present invention was made in view of this fish, and prevents wrong selection by Aberators21) N
1M [device 1': I f II is intended to be provided.

1 Means for Solving Problem 1 To achieve this "J", the present invention uses a sequence file in which a plurality of sequences are registered, and a high-frequency pulse in a static magnetic field according to a sequence read out from the sequence file. means for acquiring two-dimensional NMR data by irradiating a sample placed on the sample, a storage means for storing the obtained two-dimensional NMR data, and a two-dimensional NMR data stored in the storage means.
A data processing file in which data processing corresponding to each of the plurality of sequences registered in the sequence file is registered in a two-dimensional nuclear magnetic resonance apparatus equipped with a data processing means for performing data processing on MR data. At the same time, the code for identifying the simiken read from the above-mentioned sequence file is written in rfQ and two-dimensional NMR.
label data attached to the data, and the data processing means processes the data read from the data processing file based on the label data.
The feature is that it is applied to R data.

i f'F Iff] In the present invention, the sequence used for measurement is identified I
Since the J code is given as the label data attached to the 2-dimensional NMR data, f-
Based on this label data, accurate f
-Select evening processing and automatically execute/I! ! Is it “C”?
Wear. Hereinafter, one embodiment of the present invention will be explained with reference to the drawings.

:JA touch) Fig. 1 (The present invention') Secondary yU, NM
11th edition of the R wage head/! In the figure, a transmitting/receiving coil 2 is arranged in the static magnetic field formed in the magnet 1, and a sample 1 containing a sample r1 is placed in the transmitting/receiving coil 2. '13 is inserted.The high frequency wave having the JF and ringing frequency of observation 1 generated from the high frequency oscillator 4 is sent as a high frequency pulse to the transmitting/receiving coil 2 via the gate 5), and is irradiated to the test Fl as a high frequency pulsed magnetic field. After the transmission and reception, Fl[) signal is generated in the file 2 (taken out via the J gate 6 and demodulator 7, and A-1
[via converter 8] is sent to [mp1-]9, and 1.1
It is stored in the pinary game name 11 in the storage capacity 10 to which it belongs.

12 is a pulse programmer that controls the operation of the goo i~5.6 and the A-D converter 8; 13 is a sequence file in which information regarding various pulse sequences is stored; 1;
4 is a data processing file in which information related to various data processing is stored; 15 is a tennis file for storing characters F; This is a block for launching two-dimensional scales.

In the above configuration, in the sequence file 13, information regarding the pulse sequence for two-dimensional correlation spectrum measurement is identified in [ID]-do AΔ, and information regarding the pulse sequence for J411 SERVEC1H measurement is identified in T1-DO [3
1313, information regarding the pulse sequence for measuring C1-1 correlation spectra is registered with the identification code CCC, information regarding the pulse sequence for measuring the multi-quantum correlation spectrum is registered with the identification code DDO, and furthermore, various types of
Information regarding pulse sequences for measuring dimensional spectra is registered and given an identification code.

In addition, the data processing file contains information regarding data processing applied to the two-dimensional correlation spectrum with the identification code △AA and J
Information regarding the data processing performed on the correlation spectrum is the identification code BBB, information regarding the sizing data processing performed on the CH correlation spectrum is the identification code CCC, and information regarding the data processing performed on the multi-quantum correlation spectrum is the identification code 21-D D.
D, and information related to data processing for each of the other various two-dimensional spectra is registered with a large number of identification codes.

Now, if the operator uses input Hn 16 to command the computer to perform, for example, a two-dimensional correlation spectrum measurement, then
The computer reads out the pulse sequence information of the two-dimensional correlation spectrum from the sequence file 13 with the identification code ΔAA, sends it to the pulse programmer 12, stores the identification code 'r d3 @, and uses it as a label for the measurement data to be traversed. The pulse programmer outputs various timing signals for measuring a two-dimensional correlation spectrum based on sequence information sent from the computer.

FIG. 2 shows a pulse sequence for measuring two-dimensional correlation magnitude, and FIG. 3 shows the timing signals generated by pulse programmer 12 to execute this sequence. Since the gate 5 is turned ON and OFF by the timing signal shown in FIG.
Two 90° pulses are applied to the nucleus with an interval t1. Then, Goo 1-6 is at timing 1 in Figure 3(b).
No. 8 (opened over t2 between I + ¥, A-1)
Since converter 8 also operates at the same timing as gate 6,
The FID signal emanating from the application of the second 90° pulse continues over time t2, for example at data point 25 (5'c
1j is assembled, sent to the converter 9, and stored in the data file 11a in the memory 11.

All settings like this change the value of 11 to 256 steps, for example:
Because the measurements are repeated over and over, by the time 256 measurements have been completed, part 2! v 1q of set data consisting of 256 FID signals obtained corresponding to the tl value of the 61Q floor are stored in the data file 11a. The text memory 15 stores each data file 11a in the memory 11.
, 11b, ... labels 15a, 15b corresponding to
A space is provided for storing . Also, data such as measurement line ('1, for example, observation frequency ('), i1+11 bandwidth, etc.) are written in this label.

Then, the computer 9 generates the aggregate data in the time domain and 1. : Since 2ΦFriel month is calculated for :, the f-t in the data file 11a is converted into two-dimensional spectral data in the frequency domain.

Next, in order to perform data processing on the original data of the two-dimensional spectrum at a later date, the computer 9 reads the label data 15a attached to this data file 11a and extracts the identification codes A and AA therein. Then, based on this identification data, information regarding the F-data processing to be applied to the two-dimensional correlation spectrum is read out from the data processing file 14, and multiple symmetrical processing is performed using a processing method suitable for the two-dimensional correlation spectrum. Hide's data place Fl! dripping.

In addition, above; d2 In J2 Akira, the ]- code for reading the sequence from the sequence file is labeled as is (separate from A).
It goes without saying that the identification code attached to each pulse sequence should be set in the sequence file separately from the code for reading out the sequence.

+ 51 light effect] As mentioned above, if the present invention has J, then i
The specs are based on the 2-dimensional NMR spectrum 1 hell data obtained]
Since Hell's Class 11E is given i and recode as label data, it is not possible to determine the type of spectrum from the label data attached to this data, even if it is easy to perform subsequent data processing. Because each scale can perform two-dimensional NMR
Accurate data processing that matches the type of spectrum can be automatically performed, making it possible to eliminate errors in judgment by the operator.

[Brief explanation of drawings]

FIG. 1 shows a 2D N IVI R apparatus embodying the present invention in Example 4. 1 is a diagram showing the timing ratio of pulse proton 51'1-, and FIG. 1 is a diagram for explaining a two-dimensional NMR spectrum. 1: Ea convex 2: Transmitting/receiving coil 1: Convex frequency oscillator 5.6 2 gates 7 ° Demodulation Rei
8: A-1)
Changer 1φ device (,); Yu]unbi coater 1], biply f-tamer 12: pulse block [I grammar 1; i5;,'l jljGanjin JEOL Co., Ltd. Representative name Ito -jin

Claims (1)

[Claims] A sequence file in which multiple sequences are registered, and a high-frequency pulse is irradiated to a sample placed in a static magnetic field according to the sequence read out from the sequence file.
Means for acquiring dimensional NMR data and obtained two-dimensional NMR data
A two-dimensional nuclear magnetic resonance apparatus comprising a storage means for storing MR data and a data processing means for performing data processing on the two-dimensional NMR data stored in the storage means,
A data processing file is provided in which data processing corresponding to each of the plurality of sequences registered in the sequence file is registered, and a code for identifying the sequence read from the sequence file is used as label data attached to the two-dimensional NMR data. and the data processing means processes the data read from the data processing file based on the label data into the two-dimensional NMR.
A two-dimensional nuclear magnetic resonance apparatus characterized in that data is subjected to the following steps.