JP4705657B2 - Spectral data processor - Google Patents

Description

  The present invention relates to a spectral data processing apparatus, and more particularly to a data processing apparatus that can process spectral data of an object to be measured and analyze information on functional groups in detail.

    Spectral analysis measurement is widely used for identification and quantification of unknown samples, and it is said that about 70% uses the spectroscopic measurement as a final measurement means in the current research. The reason why spectroscopic measurement is widely used in this way is that a large amount of chemicals is not required, the analysis cost is low, the risk of environmental pollution is low, rapid analysis is possible, and the same sample There are advantages such as being able to be used repeatedly.

  Conventionally, spectroscopic analyzers such as IR and Raman have taken sample spectral data and displayed the data in a graph. In particular, for a so-called 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, it is selected when a certain peak part is selected. Some reconstructed and output a two-dimensional graph of the wave number at the peak portion.

  Further, an apparatus for designating a chromatogram of a 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 No. 2668240. .

  However, by specifying the peak part of the graph constructed from the obtained spectral data, the data processing device that displays the functional group name with the wave number of the peak part as the absorption wave number, the functional group name, and the temperature There has been no apparatus for creating a temperature change curve of the absorption intensity at the absorption wave number of the specified functional group from the absorption spectrum data with respect to the change.

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

  Since there was no data processing device that displayed the functional group name having the wave number corresponding to the peak part in the absorption wave number region by specifying the peak part of the graph composed of the spectrum data obtained as described above, measurement Determination of the functional group contained in the sample had to be performed by the measurer himself.

  In addition, since there was no device that specified the functional group name and displayed the temperature change curve of the absorption intensity at the absorption wave number of the specified functional group from the absorption spectrum data with respect to the temperature change, the measurer processed the data and processed the specific functional group. The temperature change in the absorption wave number region of the group was investigated.

  Furthermore, when performing surface analysis, there is also a data processing device that designates a functional group name and displays a three-dimensional graph of X-axis-Y-axis-absorption intensity at the absorption wave number of the functional group from the obtained spectrum data. Therefore, the relationship between absorbance and wave number at each point (coordinates (X, Y)) was analyzed, and a certain functional group at that point was identified and quantified.

  Furthermore, in the above-described data analysis, the measurer must remember the absorption wave number region of the functional group, and if it does not remember, it must be investigated, and the absorption wave number region of the functional group is rarely single, Most are multiple. For this reason, data analysis is very complicated, and enormous effort is required.

  The present invention has been made in view of the above problems, and an object of the present invention is to provide an apparatus capable of performing quick and accurate analysis while omitting the complexity of analysis in identification and quantification of functional groups from spectrum data.

The data processing apparatus according to the present invention in order to achieve the object, the spectral data capture means for capturing the spectral data of the object to be measured, the spectrum data or Atsushi Luo of the measured object taken in the data capturing means - wavenumber - specific variable absorption strength of - wavenumber - data processing means which constitute outputs a three-dimensional graph of the absorption intensity, display means and the three-dimensional graph displayed on said display means for displaying an output from said data processing means From the designated input means for designating and inputting a search wave number by designating and inputting a wave number corresponding to an arbitrary peak portion or an arbitrary peak, and a functional group storing information on the peak wave number region for a plurality of functional groups and information storage means, wherein the functional group information storing functional groups having the specified search wavenumber peak wavenumber domain by the specification input means Reading from the step, characterized in that the functional group name of the corresponding one or more functional groups and a functional group reading means for outputting to said display means.

In the present invention, a three-dimensional graph composed of said data processing means, into a two-dimensional graph of a temperature change curve definitive the search wave number specified by the specified input means, preferably be output to the display means It is.
In the present invention, when n search wave numbers are specified and input by the specified input means, for each of the first to nth search wave numbers, a functional group having each search wave number in the absorption wave number region is the functional group. When each of the read functional groups appears in a plurality of the first to n-th search wave numbers, the functional group name is distinguished from each other by the duplicate number. 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 readout means can The peak wave number region of the functional group designated by the designated input means is read from the functional group information storage means, the peak wave number of the functional group is output, and the data processing means absorbs the output outputted from the functional group read means. It is preferable to construct a temperature change curve of absorption intensity at wave number and output it to the display means.

  Furthermore, the present invention provides a spectral data capturing unit that captures spectral data obtained by surface analysis of an object to be measured, a functional group information storage unit that stores information on an absorption wave number region for a plurality of functional groups, and an arbitrary functional group name, or Designating input means for designating and inputting the search wave number; and when the functional group name is designated by the designated input means, the absorption wave number region of the designated functional group is read out from the functional group information storage means and output. When the search wave number is designated by the designation input means, the functional group name reading means for reading out and outputting the functional group name having the designated search wave number in the absorption wave number region from the functional group information storage means, and the functional group In response to 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 configuring and outputting a dimension graph; and display means for displaying the output of the data processing means together with the functional group name designated by the designated input means or the functional group name having the search wave number in the absorption wave number region. It is characterized by having.

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

As described above, according to the data processing apparatus of the present invention, the measurer simply selects a characteristic peak from the obtained spectrum data and inputs the search wave number, so that the sensor may be included in the sample. Since the base name can be obtained, it is possible to save time and effort for identification.
In addition, when the search wave number is input, a two-dimensional graph of time-absorption intensity, temperature-absorption intensity, etc. at the search wave number is constructed, and the spectrum data is analyzed in detail according to the configuration outputted to the display means. Is possible.
In addition, when a plurality of search wavenumbers are input, according to the configuration in which the functional group name can be distinguished and displayed according to how many search wavenumbers are used as absorption wavenumbers, many functional groups having a plurality of peaks can be obtained from the spectrum data. It is possible to save a great deal of time and effort to find out which functional group actually exists from among them.
In addition, with the configuration that outputs 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 apparatus of the present invention, it is possible to more easily perform analysis at each point on the surface of the object to be measured when performing surface analysis.
In addition, since a variable similar to the graph axis can be set arbitrarily, more detailed surface analysis data analysis is possible.
Further, by converting and displaying the three-dimensional graph into a contour map, a color-coded diagram, a bird's-eye view, etc., it is possible to display easier-to-see data when analyzing spectral data.

Hereinafter, the present invention will be described in detail using an embodiment of the present invention.
FIG. 1 is a schematic diagram of an apparatus according to an embodiment of the present invention.

First Embodiment The data processing apparatus 2 in FIG. 1 includes a spectrum data capturing unit 4 that captures spectrum data of a measurement object, and a time-wave number from the spectrum data of the measurement object captured by the data capture unit 4. Data processing means 6 for constructing and outputting a three-dimensional graph of specific variables such as absorption intensity, temperature-wave number-absorption intensity-wave number-absorption intensity, display means 8 for displaying the output from the data processing means 6, and A designation input means 10 for designating and inputting a search wave number by designating and inputting an arbitrary peak portion or a wave number corresponding to an arbitrary peak from the three-dimensional graph displayed on the display means 8, and a plurality of functional groups , The functional group information storage means 12 storing the information of the absorption wave number region, and the absorption wave at the search wave number designated by the designation input means 10 Reading the functional groups from the functional group information storage unit 12 with, and a functional group reading means 14 for outputting a corresponding functional group name to the display unit 8.

  In the first embodiment that can analyze the light intensity change spectrum data at each wave number with respect to the time series data and specify the functional group, the spectrum data capturing means 4 is a spectrum in which the spectrum data of the object to be measured is stored in a floppy (R) or the like. By using the data storage medium 16, it is possible to analyze the measurement data of the object to be measured previously obtained, to detect the spectrum of the object to be measured, and to detect the detection signal of the detector 18 from an analog signal digitally. By using the A / D converter 20 that converts the signal into the signal, it is possible to capture the spectrum data while measuring the object to be measured.

  The graph formed by the data processing means 6 is displayed on the screen by using the display 22 corresponding to the display means 8 or on the paper surface by using the 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 the graph displayed on the display 22 is used as the designation input means 10.

As the functional group information storage means 12 storing the information of the absorption wave number region for a plurality of functional groups, a floppy (R) disk 30 or a CD 32 or a hard disk built in the computer 34 used as the data processing means 6 is used. It is used by being stored in a storage medium such as 36.
In the present 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 wave number of the peak of the spectrum data of the first embodiment is operated. Hereinafter, the operation of the apparatus of the present invention will be described in detail with reference to FIG.

  When the device is started, spectral data is acquired and a three-dimensional graph is displayed based on the data. FIG. 3 is a three-dimensional graph of time-wave number-absorption intensity constructed from spectral data of the object to be measured. After this three-dimensional graph is displayed, the measurer is asked to select an arbitrary peak portion, or a wave number (wavelength) corresponding to the peak portion, so that the measurer can select an arbitrary peak portion with a mouse, or Enter the wave number corresponding to the peak.

  When the measurer selects an arbitrary peak part, the device searches the functional group from the functional group library, which is a functional group information storage means, reads the functional group having the wave number corresponding to the selected peak part in the absorption wave number, Display group. As described above, according to the spectral data processing apparatus of the present invention, it is possible to easily know a functional group that may exist in a measurement sample.

  In the embodiment of the present invention, when a specific peak portion or wave number is designated and input, the time-absorption intensity at the wave number designated together with the functional group name so that the selected search wave number can be analyzed in more detail. Alternatively, it is preferable to construct and output time-series data such as temperature-absorption intensity and a two-dimensional graph of absorption intensity. This embodiment is also configured in such a manner. FIG. 4 shows the two-dimensional graph displayed on the display 22 by the printer 24 in the embodiment shown in FIG. It has been launched.

  In the present invention, the measurer can also select a plurality of peaks appearing in the three-dimensional graph, and the functional group name depends on how many of the selected search wavenumbers are the absorption wavenumbers. It is preferable to distinguish and display. 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 the paper surface or the like by the display 22 or the printer 24 by distinguishing them according to the display color such as two for red and one for black. By doing so, it is possible to know the level of probability that the displayed functional group exists in the measurement sample.

  The display method for distinguishing the functional group names is not limited to the distinction by color as in the present embodiment, but the functional group column having three wave numbers as absorption wave numbers, and the function having two wave numbers as absorption wave numbers. A distinction between display fields such as a group field and a functional group field in which one wave number is an absorption wave number is possible, and the distinction method is not particularly limited.

  Further, by inputting a specific functional group name with a keyboard 26 or a mouse 28 as designation input means, the absorption wave number region of the designated functional group is built into the floppy (R) disk 30, CD 32, or computer 34. It is preferable that the temperature change curve of the absorption intensity at the absorption wave number of the functional group specified by the computer 34 is read from the storage medium such as the hard disk 36 and output to the display 22 or the printer 24.

  In this embodiment, if there is temperature change data in the spectrum data, ask the measurer whether to create a temperature change curve, and if the measurer chooses to create, enter the functional group name Request to do. The measurer can easily input the functional group name because the functional group having a high probability of being present in the measurement object can be easily known from the functional group name list displayed in the previous stage. If the measurer chooses “Don't create a temperature change curve” at this stage, ask the measurer whether to continue the analysis. If “Continue”, return to the step of selecting the wave number (wavelength). If “do not continue”, the operation is terminated.

  The device that has entered the name of the functional group for which a temperature change curve is to be created searches the functional group library for the absorption wave number region of the specified functional group, and the peak portion of the wave number position in the absorption wave number of the specified functional group. Following the temperature change, a change curve of the absorption intensity due to the temperature change is constructed and displayed to the measurer.

  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 here, select any peak part or wave number corresponding to that peak from the 3D graph. Returning to the stage, if “NO” is selected here, the operation of the apparatus is terminated.

  Note that the temperature change data referred to in the present invention does not require that the temperature change is measured as a variable of the dimension of temperature from the stage immediately after the data is collected. That is, at the time when the data is collected, the data indicates that the initial temperature at the start of the measurement is T ° C. and the temperature changes at t ° C./min even if the time, wave number, and absorption intensity are measured. Obviously, the time axis of the collected data can be replaced with the temperature dimension. Therefore, in the present invention, the collected data includes a temperature change means data in a state where the temperature can be handled as one variable.

  The present invention is not limited to this embodiment. For example, the data processing means 6 and the display means 8 are not limited to the computer 34, the display 22, the printer 24, etc., but are described in the claims. An apparatus having the above configuration is included in the scope.

  In addition, the functional group name can be specified by actually inputting the functional group name or displaying the functional group list stored in the functional group information storage unit on the display unit 8 and selecting it using a controller such as the mouse 28. Although the method of giving a number to the functional group of a list | wrist and inputting a number by keying etc. can be considered, these designation | designated input methods are not specifically limited. The designation input means is not limited to a keyboard or a mouse.

Next, an apparatus for processing spectrum data obtained by performing surface analysis of an object to be measured in the present invention will be described.
Second Embodiment An outline of an apparatus for processing data obtained by performing surface analysis of an object to be measured is also the same as that shown in FIG. Referring to FIG. 1, a spectrum data capturing unit 4 that captures spectrum data obtained by surface analysis of an object to be measured, a functional group information storage unit 12 that stores information on an absorption wave number region for a plurality of functional groups, and an arbitrary The designation input means 10 for designating and inputting the functional group name or the search wave number, and when the functional group name is designated by the designation input means 10, the absorption wave number region of the designated functional group is defined as the functional group. When the search wave number is designated by the designation input means 10, the functional group name having the designated search wave number in the absorption wave number region is read from the functional group information storage means 12. The functional group readout means 14 to be output and the absorption of the functional group designated by the designation input means 10 in response to the output of the functional group readout means 14 The data processing means 6 that composes and outputs a three-dimensional graph of X-axis-Y-axis-absorption intensity at the number or search wave number, and the functional group name designated by the designation input means 10 as the output of the data processing means 6 Or the display means 8 which displays a search wavenumber with the functional group name which has an absorption wavenumber area | region is provided.

  With the above configuration, when a specific functional group name or a search wave number is designated by the designation input means 10 such as the keyboard 26 or the mouse 28, when a specific functional group name is designated by the designation input means 10. Reads the absorption wave number of the specified functional group from the floppy (R) disk 20, CD 22, or hard disk 24, and takes data while measuring with the detector 18 and A / D converter 20, or previously measured A three-dimensional graph of X-axis-Y-axis-absorption intensity at the wave number to which the specified functional group belongs is displayed on the display 22 or the printer 24 based on the data fetched from the storage medium 16 storing the spectral data. Is displayed together with the functional group name designated on the paper or the like.

  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 (R) disk 20, CD 22, or hard disk 24, and the detectors 18 and A X-axis-Y-axis-absorption at a specified search wave number based on data taken in while being measured by the / D converter 20 or data taken in from the storage medium 16 storing previously measured spectrum data A three-dimensional graph of intensity is displayed on the display 22 or by the printer 24 together with the functional group name on the paper surface.

  In the present invention, the keyboard 26 or the mouse 28 is used to select which dimension to correspond to the axis of the graph to be displayed by selecting three or two of the X axis, Y axis, wave number, and absorption intensity. It is preferable that a graph with the selected axis is displayed on the display means.

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

  Start the instrument and allow spectral data to be acquired. When the apparatus completes the data acquisition, the measurer selects whether to specify a functional group, a wave number, or a graph axis for the measurer.

  When selecting “specify functional group name” in the step of selecting one of the functional group, wave number, and graph axis, the operator enters the functional group name designated by the apparatus, and the measurer inputs the functional group name. When the measurer inputs an arbitrary functional group name, the apparatus retrieves the functional group from the functional group library as the functional group information storage means, reads the absorption wave number of the input functional group, and X-axis-Y at the wave number. A three-dimensional graph of axis-absorption intensity is displayed with the specified functional group name. Then, you are asked whether you want to continue the analysis. If "Continue" is selected, return to the step of selecting one of the functional group, wave number, or graph axis, and if "Do not continue" is selected, the device will operate. Ends.

  In addition, when selecting the wave number is selected in the step of selecting any one of the functional group, wave number, and graph axis, the measurer inputs the wave number because the apparatus waits for the wave number specified by the apparatus. When the measurer inputs an arbitrary wave number, the apparatus searches the functional group having the input wave number as an absorption wave number from the functional group library as the functional group information storage means, reads the functional group, and at the input wave number X A three-dimensional graph of axis-y-axis-absorption intensity is displayed together with a functional group name list having the input wave number as the absorption wave number. Then, you are asked whether you want to continue the analysis. If "Continue" is selected, return to the step of selecting one of the functional group, wave number, or graph axis, and if "Do not continue" is selected, the device will operate. 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 is very well understood.

  In addition, when selecting "specify graph axis", the grapher asks again whether the graph to be analyzed is two-dimensional or three-dimensional, and the measurer selects and inputs one of them. When a three-dimensional graph is designated, three are selected from variables such as the X-axis, Y-axis, wave number, and absorption intensity, and when two-dimensional is selected, two are selected. Then, the device asks how many variables to be excluded are to be fixed, so input a numerical value to be fixed. Then, a graph of spectrum data under the set conditions is displayed. Then, you are asked whether you want to continue the analysis. If "Continue" is selected, return to the step of selecting one of the functional group, wave number, or graph axis, and if "Do not continue" is selected, the device will operate. Ends.

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

  In general, the data captured by the surface analysis is not time-series data. However, if the first-captured data includes time-series data of temperature changes, the light intensity at a certain wave number at a certain point (X, Y). In order to create the temperature change curve, it is possible to skip to the step of “Will the temperature change curve be created?” In FIG. In this way, a more detailed analysis can be performed. Then, if “continue” in the step “continue analysis” in FIG. 2, the process returns to the step of selecting one of the functional group, wave number, and graph axis, and if “do not continue” is selected, the operation of the apparatus ends. By doing so, a loop can be completed and analyzed without problems.

  Of course, if you want to analyze a graph of XY absorption intensity by specifying a certain wave number or functional group name and want to perform further analysis at a certain point (x, y) in the measured object plane Select the graph axis, select the absorption intensity on the vertical axis and the wave number on the horizontal axis, and specify X = x and Y = y to perform more detailed analysis at the point (x, y). Can do. Even if it is not two-dimensional, if the absorption intensity is taken on the axis in the height direction, Y is taken on the vertical axis, the wave number is taken on the horizontal axis, and X = x is fixed, the relationship between the absorbance in the Y axis direction and the wave number at 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 a 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, changes in the wave number and absorption intensity in the Y-axis direction at X = x are well understood, and a complicated surface analysis can be performed without taking time and effort.

  In the present invention, the time-wave number-absorption intensity, temperature-wave number-absorption intensity in the first embodiment, or the wave number to which the specified functional group in the second embodiment belongs, or arbitrarily the X axis in the wave number -Y axis- When a 3D graph displayed on the display means, such as absorption intensity, is selected by the operator, contour maps with the same wave number intensity, several graphs superimposed, or when a specific functional group is specified When analyzing, it is possible to reconstruct a color-coded diagram that displays the peak portion etc. belonging to the functional group by color, a bird's-eye view that changes the viewpoint of the three-dimensional graph displayed at the time of analysis, etc. May be easier to see. The present invention is not limited to the contour map, the color-coded map, and the bird's-eye view described here.

  Further, in the present invention, the wave number represents how many waves are included in 1 cm, and this wave number is represented by the reciprocal of the wavelength, so that the wave number is substantially synonymous with the wavelength. In the claims of the present invention, those in which the wave number is replaced with a wavelength are substantially the same as those of the present invention and are included in the scope of the present invention.

It is an apparatus schematic diagram of one Embodiment in this invention. It is the block diagram which showed the flow of operation | movement at the time of operating the apparatus which identifies a functional group from the wave number of the peak of the spectrum data of this invention. FIG. 3 is a three-dimensional graph of time-wave number-absorption intensity constructed from spectral data of the object to be measured. FIG. 4 is a two-dimensional graph at two selected wave numbers. It is the block diagram which showed the flow of operation | movement at the time of operating the apparatus which processes the data of the mapping spectrum of this invention. It is a bird's-eye view of the three-dimensional graph displayed on the display when the wave number is designated. It is the three-dimensional graph which showed the change of the relationship between the wave number of the Y-axis direction and absorption intensity in X = x.

Explanation of symbols

2: data processing device 4: data fetching means 6 data processing means 8: display means 10: designation input means 12: functional group information storage means 14: functional group reading means 16: spectral 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 (2)

A spectral data capturing means for capturing spectral data of the object to be measured;
Spectral data or Atsushi Luo of the measured object taken in said data capturing means - wavenumber - a data processing unit which constitutes a three-dimensional graph of the absorption intensity output,
Display means for displaying the output from the data processing means;
A designation input means for designating and inputting a search wave number by designating and inputting an arbitrary peak portion or a wave number corresponding to an arbitrary peak from the three-dimensional graph displayed on the display means;
For a plurality of functional groups, functional group information storage means for storing information of the peak wavenumber region,
A functional group having a search wave number designated by the designation input means in a peak wave number region is read from the functional group information storage means, and a functional group name of one or more corresponding functional groups is output to the display means. And reading means,
Further, the designation input means can designate and input one functional group name from the one or more functional groups,
The functional group reading means reads the peak wave number region of the functional group from the functional group information storage means, and outputs the peak wave number of the functional group,
The data processing means constitutes a temperature change curve of the temperature-absorption intensity of the functional group at the peak wave number, outputs the temperature change curve to the display means, and further, the third order of the temperature-wave number-absorption intensity constituted by the data processing means A spectral data processing apparatus , wherein an original graph is converted into a temperature-absorption intensity temperature change curve at a search wave number designated by a designation input means and output to the display means . The apparatus according to claim 1, wherein when n search wave numbers are designated and input by the designation input means,
For each of the first to nth search wave numbers, a functional group having each search wave number in the absorption wave number region is read from the functional group information storage unit,
When the read out functional group appears in duplicate in a plurality of first to n-th search wave numbers, the functional group name is output to the display means by distinguishing by the duplicate number. Spectral data processing device.

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