JP2000131224A - Spectrum data processor - Google Patents

Abstract

PROBLEM TO BE SOLVED: To rapidly and accurately analyze by selecting a characteristics peak from spectrum data to input its retrieved wave number, and obtaining its functional group name. SOLUTION: This spectrum data processor 2 displays a three-dimensional graph on a display means 8 on the basis of spectrum data taken in a data taking-in means 4. The spectrum data processor 2 requires a measurer to select an arbitrary peak part or a wave number (a wave length) corresponding to the peak part after displaying the three-dimensional graph. In answer to the request, the measurer inputs a wave number of an arbitrary peak part or of the peak part with a mouse. When the measurer selects the arbitrary peak part, the spectrum data processor 2 retrieves a functional group information memory means 12 for a functional group having an absorption wave number corresponding to the wave number of the selected peak part, and reads and displays the functional grope. Thus, with the spectrum data processor 2, the measurer can easily know the functional group probably existing in a measurement sample.

Description

DETAILED DESCRIPTION OF THE INVENTION

[0001]

BACKGROUND OF THE INVENTION 1. Field of the Invention The present invention relates to a spectrum data processing apparatus, and more particularly, to processing spectrum data of a device under test,
The present invention relates to a data processing device capable of analyzing functional group information in detail.

[0002]

2. Description of the Related Art Spectroscopic measurement has been widely used for identification and quantification of unknown samples.
% Are using spectroscopic measurements as the final measurement means. The reasons why spectroscopic measurement is widely used are that it does not require a large amount of chemicals, so the analysis cost is low and there is little risk of environmental pollution. Can be used repeatedly.

Conventionally, in a spectroscopic analyzer such as IR or Raman, spectrum data of a sample is taken in and displayed as a graph. In particular, for those that construct and display a three-dimensional graph showing the relationship between wave number and light intensity for so-called time-series data such as time-wave number-light intensity or temperature-wave number-light intensity, selecting a certain peak portion selects In some cases, a two-dimensional graph of the wave number at the peak portion is reconstructed and output.

Further, an apparatus for designating a name of a functional group and preparing a chromatogram of the designated functional group from absorption spectrum data at equal time intervals based on the absorption wave number of the functional group is disclosed in Japanese Patent Publication No. 2680240. Have been.

However, by designating a peak portion of a graph composed of the obtained spectrum data, a data processing device for displaying a functional group name having the wave number of the peak portion as an absorption wave number or a functional group name is designated. However, there is no apparatus for creating a temperature change curve of the absorption intensity at the absorption wave number of the designated functional group from the absorption spectrum data with respect to the temperature change.

When performing a surface analysis, a functional group name or an arbitrary wave number is specified, and the absorption wave number of the functional group specified from the obtained spectrum data and the X-axis-Y at the specified wave number are specified. There is no data processing apparatus that displays a three-dimensional graph of axis-absorption intensity together with a specified functional group name and a functional group name having a specified wave number as an absorption wave number.

[0007]

By designating the peak portion of the graph composed of the spectrum data obtained as described above, the name of the functional group having the wave number corresponding to the peak portion in the absorption wave number region is displayed. Since there was no data processing device, it was necessary for the measurer himself to determine the functional groups contained in the measurement sample.

Further, since there is no device for designating a functional group name and displaying a temperature change curve of the absorption intensity at the absorption wave number of the designated functional group from the absorption spectrum data with respect to the temperature change, the measurer performs data processing. The temperature change in the absorption wavenumber region of a specific functional group was being investigated.

When the surface analysis is further performed, the name of the functional group is specified, and the obtained spectrum data is used to display a three-dimensional graph of the X-axis-Y-axis-absorption intensity at the absorption wave number of the functional group. Since there was no processing device, the relationship between the absorbance and the wave number at each point (coordinates (X, Y)) was analyzed to identify and quantify a certain functional group at that point.

Further, in the above-mentioned data analysis, the measurer must remember the absorption wave number region of the functional group, and if not, he must examine it. There are few, most are multiple. For this reason, data analysis was very complicated and required enormous effort.

SUMMARY OF THE INVENTION The present invention has been made in view of the above problems, and has as its object to provide an apparatus capable of performing quick and accurate analysis by eliminating the complexity of analysis in identifying and quantifying a functional group from spectral data. I do.

[0012]

In order to achieve the above object, a data processing apparatus according to the present invention comprises: a spectrum data acquiring means for acquiring spectrum data of an object to be measured; and the object to be measured acquired by the data acquiring means. Data processing means for constructing and outputting a three-dimensional graph of specific variables such as time-wave number-absorption intensity, temperature-wave number-absorption intensity, etc., from the spectrum data, and outputting from the data processing means. Display means, from a three-dimensional graph displayed on the display means, by designating and inputting an arbitrary peak portion or a wave number corresponding to an arbitrary peak, a designation input means for designating and inputting a search wave number; A functional group information storage unit for storing information on an absorption wave number region for a functional group; and a search designated by the designation input unit. Read a functional group having a number in the absorption wave number region from the functional group information storage means, characterized in that the relevant functional group name which includes a functional group reading means for outputting to said display means.

In the present invention, it is preferable that the three-dimensional graph constituted by the data processing means is converted into a two-dimensional graph at a search wave number designated by the designation input means and outputted to the display means. Further, in the present invention, when n search wave numbers are specified and input by the specification input means, a functional group having each search wave number in an absorption wave number region is assigned to each of the first to n-th search wave numbers. When each of the read-out functional groups appears in a plurality of the first to n-th search wave numbers in an overlapping manner, the functional group name is distinguished by the number of overlaps and the functional group name is read out from the display means. It is preferable to output to

Further, in the present invention, when the spectrum data captured by the data capturing means includes a temperature change, the designation input means can designate and input an arbitrary functional group name, and the functional group reading means Reads out and outputs an absorption wave number region of the functional group designated by the designation input means from the functional group information storage means, and the data processing means reads the absorption intensity at the absorption wave number output from the functional group reading means. It is preferable to construct the temperature change curve and output it to the display means.

Further, the present invention provides a spectrum data acquiring means for acquiring spectrum data by surface analysis of an object to be measured, a functional group information storing means for storing information on an absorption wave number region for a plurality of functional groups, and an arbitrary functional group. A designation input unit for designating and inputting a name or a search wave number, and, when a functional group name is designated by the designation input unit, reading an absorption wave number region of the designated functional group from the functional group information storage unit When a search wave number is designated by the designation input means, a functional group reading means for reading and outputting a functional group name having the designated search wave number in the absorption wave number region from the functional group information storage means, In response to the output of the functional group reading means, the absorption wave number of the functional group designated by the designation input means, or the X axis-Y axis in the search wave number A three-dimensional graph of the absorption intensity is formed, and data processing means for outputting and displaying the output of the data processing means together with a functional group name designated by the designation input means or a functional group name having a search wave number in an absorption wave number region are displayed. Display means.

Further, in the present invention, the spectrum data obtained by the plane analysis comprises data of at least four dimensions of the X axis, the Y axis, the wave number and the absorption intensity, and three or two dimensions are designated by the designated input means. It is preferable that by inputting the designation, a graph of the dimension designated by the designation input unit is constituted by the data processing unit and output to the display unit. Further, in the present invention, it is preferable that a contour map, a color-coded view, and a bird's-eye view are further reconstructed as needed from the three-dimensional graph formed by the data processing means, and output simultaneously or individually to the display means. is there.

[0017]

DETAILED DESCRIPTION OF THE PREFERRED EMBODIMENTS Hereinafter, the present invention will be described in detail using an embodiment of the present invention. FIG. 1 is a schematic diagram showing an apparatus according to an embodiment of the present invention.

[0018]First embodiment  The data processing device 2 in FIG.
Spectrum data capture means for capturing vector data
4 and the data captured by the data capturing means 4
Time-wave number-absorption from the spectrum data of the DUT
Specific variables such as intensity, temperature-wave number-absorption intensity-wave number-absorption
Data processing means for constructing and outputting a three-dimensional graph of yield strength
6 and a display for displaying the output from the data processing means 6
Means 8 and the three-dimensional graph displayed on the display means 8
Corresponding to any peak part or any peak
By specifying and inputting the wave number, the search wave number can be specified and input.
Designation input means 10 to force and absorb for multiple functional groups
A functional group information storage unit 12 storing information of a wave number region,
The search wave number specified by the specification input means 10 is absorbed.
From the functional group information storage means 12,
And outputs the corresponding functional group name to the display means 8
Functional group readout means 14.

In the first embodiment, which analyzes the light intensity change spectrum data at each wave number with respect to the time series data and can specify the functional group, the spectrum data acquisition means 4
Analyzes the measurement data of the device under test obtained previously and detects the spectrum of the device under test by using the spectrum data storage medium 16 in which the spectrum data of the device under test is stored in a floppy disk or the like. Detector 18,
By using the A / D converter 20 that converts the detection signal of the detector 18 from an analog signal to a digital signal, it is possible to capture spectrum data while measuring the device under test.

The graph formed by the data processing means 6 is displayed on a screen by using a display 22 corresponding to the display means 8 or on a paper by using a printer 24. A keyboard 26 for designating and inputting a wave number corresponding to an arbitrary peak, or a mouse 28 for designating and inputting an arbitrary peak portion of a graph displayed on the display 22 are designated input means 10.
Has been used as

As the functional group information storage means 12 for storing information on the absorption wave number region for a plurality of functional groups, a floppy disk 30 or a CD 32 or a hard disk built in a computer 34 used as the data processing means 6 36 and the like. In this embodiment, the computer 34 serves as both the data processing means 6 and the functional group reading means 14.

FIG. 2 is a block diagram showing a flow of operation when the apparatus for identifying a functional group from the peak wave number of the spectrum data of the first embodiment is operated. This figure 2
Will be used to explain in detail how the device of the present invention operates.

When the apparatus is started, spectrum data is fetched and a three-dimensional graph is displayed based on the data. FIG. 3 is a three-dimensional graph of time-wave number-absorption intensity constituted from spectrum data of the device under test. After the three-dimensional graph is displayed, the operator requests the user to select an arbitrary peak portion or a wave number (wavelength) corresponding to the peak portion. Enter the wave number corresponding to the peak part.

When the operator selects an arbitrary peak portion,
The apparatus retrieves a functional group from a functional group library as a functional group information storage unit, reads a functional group having a wave number corresponding to the selected peak portion as an absorption wave number, and displays the functional group. As described above, according to the spectrum data processing device of the present invention, it is possible to easily know the functional groups that may be present in the measurement sample.

In the embodiment of the present invention, when a specific peak portion or a wave number is designated and input, the time at the designated wave number is specified together with the functional group name so that the analysis can be performed in more detail with the selected search wave number. It is preferable to construct and output a two-dimensional graph of time-series data such as absorption intensity or temperature-absorption intensity and absorption intensity. FIG. 4 shows an embodiment shown in FIG. 1 in which the two-dimensional graph at the selected two wave numbers is displayed on the display 22 by the printer 24 in the embodiment shown in FIG. It is something that was launched.

In the present invention, a plurality of peaks appearing in a three-dimensional graph can be selected by a measurer, and the number of search wave numbers among the selected search wave numbers is determined as the number of absorption wave numbers. It is preferable to display the functional group names separately. In the embodiment shown in FIG. 1, when a plurality of peaks appearing in the spectrum data are selected, for example, when three wave numbers are selected, the functional group having all three search wave numbers as absorption wave numbers is blue, The functional group names can be displayed on paper or the like by the display 22 or the printer 24 by distinguishing them according to colors to be displayed, such as two for red and one for black. By doing so, it is possible to know the level of the probability that the displayed functional group exists in the measurement sample.

The display method for distinguishing functional group names is not limited to color distinction as in the present embodiment, but a column of a functional group having three wave numbers as absorption wave numbers, and two wave numbers as absorption wave numbers. It is also possible to distinguish between display columns, such as a column for a functional group to be used and a column for a functional group to use one wave number as an absorption wave number, and the method of these distinctions is not particularly limited.

By inputting a specific functional group name using a keyboard 26 or a mouse 28 as a designation input means, the absorption wave number region of the designated functional group is stored in the floppy disk 30, CD 32, or computer 34. A temperature change curve of the absorption intensity at the absorption wave number of the functional group designated by the computer 34 by reading from a storage medium such as a hard disk 36,
It is preferable to output to the display 22 and the printer 24.

In this embodiment, if there is temperature change data in the spectrum data, the operator is asked whether to create a temperature change curve or not. Prompt for first name. Since the measurer can easily know the functional group having a high probability of being present in the measured object from the functional group name list displayed in the previous stage, the measurer can input the functional group name. If at this stage the operator chooses "do not create a temperature change curve",
Further, the operator is asked "would you like to continue the analysis?". If "continue", the process returns to the step of selecting the wave number (wavelength), and if "do not continue", the operation ends.

The apparatus in which the name of the functional group for which the temperature change curve is to be created is inputted, the absorption wave number region of the designated functional group is searched from the functional group library, and the wave number position of the absorption wave number of the designated functional group is determined. The change in the absorption intensity due to the temperature change is constructed and displayed to the measurer following the temperature change in the peak portion.

Thereafter, it is asked whether to create a temperature change curve with another functional group. When "Yes" is selected, the process returns to the step of inputting the functional group name. If “No” is selected, ask if you want to continue the analysis. If “Yes” is selected, select an arbitrary peak portion or the wave number corresponding to that peak from the three-dimensional graph. Returning to the stage, the operation of the apparatus is terminated if “NO” is selected here.

The data of the temperature change according to the present invention is as follows.
It is not required that the data be measured as a variable of the dimension of temperature immediately after the data is collected. That is,
At the time when the data was collected, the initial temperature at the start of the measurement was T ° C. and the temperature changed at t ° C./min, even if the measurement was performed using time, wave number, and absorption intensity. If so, it is clear that the time axis of the collected data can be replaced with the temperature dimension. Therefore, in the present invention, the fact that the collected data includes a temperature change refers to data in a state where temperature can be treated as one variable.

Note that the present invention is not limited to this embodiment only. For example, the data processing means 6 and the display means 8
However, the scope of the invention is not limited to the computer 34, the display 22, the printer 24, and the like, but includes an apparatus having a configuration described in the claims.

A method of designating a functional group name is to actually input a functional group name by a key or to display a functional group list stored in a functional group information storage means on the display means 8 and use a mouse 28
For example, a method of selecting using a controller or a method of assigning a number to a functional group in the list and key-inputting the number may be considered, but the method of inputting these designations is not particularly limited. Further, the designation input means is not limited to a keyboard or a mouse.

Next, the surface analysis of the object to be measured in the present invention will be described.
An apparatus for processing the performed spectral data will be described.
You.Second embodiment  Overview of the device that processes data obtained by performing surface analysis of the DUT
Also has a configuration similar to that of FIG.
You. Explaining with reference to FIG.
Data acquisition
Means 4 and information on a plurality of functional groups in the absorption wavenumber region.
Functional group information storing means 12 storing information, and an arbitrary functional group
Designation input means 1 for designating and inputting a name or search wave number
0 and the functional group name is designated by the designation input means 10.
If specified, the absorption wave number region of the specified functional group is
Read out and output from the functional group information storage means 12;
When the search wave number is designated by the designation input means 10
Is the name of a functional group that has the specified search wavenumber in the absorption wavenumber region.
An official who reads out and outputs from the functional group information storage means 12
Functional group readout means 14 and said functional group readout means 14
Is received by the designation input means 10,
X at the absorption wave number or search wave number of the selected functional group
Construct and output a three-dimensional graph of axis-Y-axis-absorption intensity
The data processing means 6 and the output of said data processing means 6
Functional group name designated by the designation input means 10 or
Display the search wave number together with the functional group name in the absorption wave number region
Display means 8.

With the above configuration, the keyboard 2
When a specific functional group name or a search wave number is designated by the designation input unit 10 such as the mouse 6 or the mouse 28, when a particular functional group name is designated by the designation input unit 10, the designated functional group has Floppy disk 2 for absorption wave number
0, the data read out from the CD 22 or the hard disk 24 and taken in while performing the measurement by the detector 18 and the A / D converter 20, or the data taken in from the storage medium 16 storing the spectrum data measured previously. Based on this, a three-dimensional graph of the X-axis-Y-axis-absorption intensity at the wave number to which the designated functional group belongs is displayed on the display 22 or together with the name of the functional group designated on the paper or the like by the printer 24.

When the search wave number is designated by the designation input means 10, the functional group name having the designated search wave number as the absorption wave number is read from the floppy disk 20, CD22, or hard disk 24, and the detectors 18 and A
X-axis-Y-axis-absorption at a designated search wave number based on data taken in while performing measurement by the / D converter 20 or data taken from the storage medium 16 storing previously measured spectrum data. A three-dimensional graph of the intensity is displayed on the display 22 or by a printer 24 on a paper or the like together with the functional group name.

In the present invention, three or two of the X axis, the Y axis, the wave number, and the absorption intensity are selected by the keyboard 26 or the mouse 28 to determine which dimension corresponds to the axis of the graph to be displayed. By doing so, it is preferable that a graph based on the selected axis is displayed on the display means.

FIG. 5 is a block diagram showing an operation flow when the apparatus for processing mapping spectrum data according to the second embodiment is operated. Hereinafter, the operation of the device of the present invention will be described in detail with reference to FIG.

The apparatus is started and spectral data is taken. When the device completes the data acquisition, the operator is asked whether to specify a functional group, a wave number, or a graph axis, and the operator selects one of them.

In the case of selecting a functional group name in the step of selecting any of the functional group, wave number and graph axis,
The operator waits for the input of the functional group name specified by the apparatus, so the measurer inputs the functional group name. When the measurer inputs an arbitrary functional group name, the apparatus searches for a functional group from a functional group library which is a functional group information storage unit, reads an absorption wave number of the input functional group, and reads X-axis-Y at the wave number. A three-dimensional graph of axis-absorption intensity is displayed with the specified functional group name. You will be asked if you want to continue the analysis.
Is selected, the process returns to the step of selecting one of the functional group, the wave number, and the graph axis. If "No" is selected, the operation of the apparatus ends.

If the user selects "specify the wave number" in the step of selecting any of the functional group, the wave number and the graph axis, the operator waits for the input of the wave number specified by the apparatus, so the operator inputs the wave number. When the measurer inputs an arbitrary wave number, the apparatus searches for a functional group having the input wave number as the absorption wave number from the functional group library as the functional group information storage means, reads the functional group, and reads X in the input wave number. Axis -Y
A three-dimensional graph of axis-absorption intensity is displayed together with a list of functional group names having the input wave number as the absorption wave number. You will be asked if you want to continue the analysis.If "Continue" is selected, return to the step of selecting one of functional groups, wave numbers, and graph axes.If "No" is selected, activate the device. Ends.

FIG. 6 is a bird's-eye view of the three-dimensional graph displayed on the display when the wave number is designated. As can be seen from this figure, the change state in the plane to be measured can be understood very well.

When the user designates the graph axis,
When asked again whether the graph to be analyzed is two-dimensional or three-dimensional, the operator selects and inputs either one. And if you specify a three-dimensional graph, the X axis, Y axis, wave number,
Select three from variables such as absorption intensity, and select two when two-dimensional is selected. Then, the device asks how many variables to be excluded are fixed, and then inputs the fixed value. Then, a graph of the spectrum data under the set conditions is displayed. And you will be asked if you want to continue the analysis, so if "Continue" is selected, the functional group,
Return to the step of selecting either the wave number or the graph axis,
If "do not continue" is selected, the operation of the apparatus ends.

Although not shown in FIG. 5, if the graph displayed after displaying the graph is three-dimensional, selection of an arbitrary peak portion or a wave number (wavelength) corresponding to the peak portion in FIG. 2 is performed. It can also be skipped to the step of causing.

Normally, the data taken in the surface analysis is not time-series data, but if the data taken first includes time-series data of temperature change, the data at a certain wave number at a certain point (X, Y) can be obtained. In order to create the temperature change curve of the light intensity, it is possible to skip to the step of "create a temperature change curve" in FIG. In this way, a more detailed analysis can be performed. Then, if "Continue" is selected in the step "Continue Analysis" in FIG. 2, the process returns to the step of selecting one of functional groups, wave numbers, and graph axes. If "Don't Continue" is selected, the operation of the apparatus ends. By doing so, a loop is completed and analysis can be performed without any problem.

It is needless to say that a graph of XY-absorption intensity is analyzed by designating a certain wave number or a functional group name, and further analysis is to be performed at a certain point (x, y) in the plane of the measured object. Then, specify the graph axis, select the absorption intensity on the vertical axis, and the wave number on the horizontal axis. X = x, Y
By specifying = y, a more detailed analysis at the point (x, y) can be performed. Even if it is not two-dimensional, the relationship between the absorbance in the Y-axis direction and the wave number at X = x can be understood by taking the absorption intensity on the axis in the height direction, Y on the vertical axis, and the wave number on the horizontal axis, and fixing X = x. It is also possible to analyze not only points on the plane of the object to be measured, but also changes in the axial direction.

FIG. 7 is a three-dimensional graph showing the change in the relationship between the wave number in the Y-axis direction and the absorption intensity when X = x. As can be seen from the graph, the change in the wave number and the absorption intensity in the Y-axis direction at X = x is well understood, and the complicated surface analysis can be performed without any trouble.

In the present invention, the time-wave number-absorption intensity, the temperature-wave number-absorption intensity in the first embodiment, or the wave number to which the designated functional group belongs in the second embodiment or the X-axis in the wave number arbitrarily. A 3D graph displayed on the display means such as the Y axis-absorption intensity, etc., depending on the measurement person's selection, a contour map with the same wavenumber intensity, or a case where several graphs are overlaid, or a specific functional group is specified The analysis shows that it is possible to reconstruct a color-coded diagram in which the peaks belonging to the functional group are displayed in different colors, and a bird's-eye view that is displayed by changing the viewpoint of the three-dimensional graph displayed during analysis. In this case, the graph can be easily viewed. Note that the present invention is not limited to the contour map, the color-coded map, and the bird's-eye view described here.

In the present invention, the wave number indicates how many waves are contained in 1 cm, and this wave number is represented by the reciprocal of the wavelength. Therefore, the wave number is substantially equal to the wavelength. In the claims of the present invention, those in which the wave number is replaced with the wavelength are substantially the same as the present invention, and are included in the scope of the present invention.

[0051]

As described above, according to the data processor of the present invention, the operator selects characteristic peaks from the obtained spectral data, and inputs the search wave number to be included in the sample. Since a possible functional group name can be obtained, the work for identification can be omitted. Further, when a search wave number is input, a two-dimensional graph of time-absorption intensity, temperature-absorption intensity, etc. at the search wave number is formed, and according to the configuration output to the display means, the spectrum data can be analyzed in detail. Is possible. Also, when a plurality of search wave numbers are input, according to a configuration in which functional group names can be distinguished and displayed depending on how many search wave numbers are used as absorption wave numbers, many functional groups having a plurality of peaks are obtained from spectral data. It is possible to largely eliminate the trouble of investigating and determining which functional group actually exists from the information. Further, by outputting the temperature change curve of the absorption intensity at the absorption wave number of the designated functional group, the temperature change of the peak wave number indicated by the designated functional group can be analyzed without trouble. Further, according to the data processing device of the present invention, it is possible to more easily perform the analysis at each point on the surface of the measured object when performing the surface analysis. In addition, since variables that resemble graph axes can be set arbitrarily, more detailed data analysis of surface analysis becomes possible. Also, by converting and displaying the three-dimensional graph into a contour diagram, a color-coded diagram, a bird's-eye view, or the like, more easily viewable data can be displayed to the measurer when analyzing the spectrum data.

[Brief description of the drawings]

FIG. 1 is a schematic diagram of an apparatus according to an embodiment of the present invention.

FIG. 2 is a block diagram showing a flow of operation when an apparatus for identifying a functional group from a peak wave number of spectral data of the present invention is operated.

FIG. 3 is a three-dimensional graph of time-wavenumber-absorption intensity composed of spectrum data of an object to be measured.

FIG. 4 is a two-dimensional graph at selected two wave numbers.

FIG. 5 is a block diagram showing an operation flow when the apparatus for processing mapping spectrum data of the present invention is operated.

FIG. 6 is a bird's-eye view of a three-dimensional graph displayed on a display when a wave number is designated.

FIG. 7 is a three-dimensional graph showing a change in the relationship between the wave number in the Y-axis direction and the absorption intensity when X = x.

[Explanation of symbols]

 2: Data processing device 4: Data acquisition means 6 Data processing means 8: Display means 10: Designation input means 12: Functional group information storage means 14: Functional group read means 16: Spectrum data storage medium 18: Detector 20: A / D converter 22: Display 24: Printer 26: Keyboard 28: Mouse 30: Floppy disk 32: CD 34: Computer 36: Hard disk

Claims (7)

[Claims] 1. A spectrum data capturing means for capturing spectral data of a device under test, and a time-wave number-absorption intensity, a temperature-wave number-absorption intensity, etc., based on the spectrum data of the device captured by the data capturing device. Data processing means for constructing and outputting a three-dimensional graph of specific variable-wave number-absorption intensity; display means for displaying the output from the data processing means; and arbitrary peaks from the three-dimensional graph displayed on the display means By specifying and inputting a wave number corresponding to a portion or an arbitrary peak, a designation input means for designating and inputting a search wave number; and a functional group information storage means for storing information on an absorption wave number area for a plurality of functional groups; Reading from the functional group information storage means a functional group having a search wave number designated by the designation input means in the absorption wave number region, The functional group name equivalent to having a functional group reading means for outputting to said display means the spectral data processing apparatus according to claim. 2. The apparatus according to claim 1, wherein the three-dimensional graph formed by the data processing means is converted into a two-dimensional graph at a search wave number designated by the designation input means and output to the display means. A spectral data processing device characterized by the above-mentioned. 3. The apparatus according to claim 1, wherein, when n number of search wave numbers are specified and input by said specification input means, each of the first to n-th search wave numbers is changed. The functional groups in the absorption wave number region are read from the functional group information storage means, respectively. If the read functional groups appear in a plurality of the first to n-th search wave numbers, the number of duplicates And outputting the functional group name to the display means in a distinguishable manner. 4. The apparatus according to claim 1, wherein the designation input means designates and inputs an arbitrary functional group name when the spectrum data acquired by the data acquisition means includes a temperature change. The functional group readout means reads out and outputs an absorption wave number region of the functional group designated by the designation input means from the functional group information storage means, and the data processing means reads the functional group readout means. A spectral data processing device for constructing a temperature change curve of the absorption intensity at the absorption wave number outputted from the apparatus and outputting the curve to the display means. 5. A spectrum data capturing means for capturing spectrum data by surface analysis of an object to be measured, a functional group information storing means for storing information on an absorption wave number region for a plurality of functional groups, an arbitrary functional group name, or A designation input unit for designating and inputting a search wave number; and when a functional group name is designated by the designation input unit, an absorption wave number region of the designated functional group is read from the functional group information storage unit and output. When a search wave number is designated by the designation input unit, a functional group read unit that reads a functional group name having the designated search wave number in the absorption wave number region from the functional group information storage unit and outputs the functional group name; Receiving the output of the reading means, the absorption wave number of the functional group designated by the designation input means, or the X-axis-Y-axis-absorption intensity at the search wave number Data processing means for forming and outputting a dimensional graph, and display means for displaying the output of the data processing means together with a functional group name designated by the designation input means or a functional group name having a search wave number in an absorption wave number region. A spectral data processing device, comprising: 6. The data processing apparatus according to claim 5, wherein the spectrum data obtained by the surface analysis comprises data of at least four dimensions of an X axis, a Y axis, a wave number, and an absorption intensity. One or two dimensions are designated and input, so that a graph of the dimension designated by the designation input means is constituted by the data processing means,
A spectrum data processing device for outputting to a display means. 7. The data processing apparatus according to claim 1, wherein a contour map, a color-coded map, and a bird's-eye view are further reconstructed as needed from the three-dimensional graph formed by the data processing means. A spectral data processing device for outputting simultaneously or individually to a display means.