JP2007218706A - Spectral conversion method - Google Patents

Spectral conversion method Download PDF

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JP2007218706A
JP2007218706A JP2006038719A JP2006038719A JP2007218706A JP 2007218706 A JP2007218706 A JP 2007218706A JP 2006038719 A JP2006038719 A JP 2006038719A JP 2006038719 A JP2006038719 A JP 2006038719A JP 2007218706 A JP2007218706 A JP 2007218706A
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Masahiro Watari
正博 渡
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Yokogawa Electric Corp
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Abstract

<P>PROBLEM TO BE SOLVED: To provide a method for predicting the constituent properties of a sample from on-line spectra by converting spectra measured in a laboratory to those measured on-line. <P>SOLUTION: A spectral conversion method includes a process (a) for measuring the characteristics of the sample by a physicochemical method; a process (b) for measuring the spectra of the sample sampled into a first cell; a process (c) for creating a working curve by using the sample characteristics measured in the process (a) and the spectra measured in the process (b); a process (d) for measuring the spectra of a sample that is the same as the sample used in the process (a), by using a second cell having an optical path length differing from that of the first cell used in the process (b); a process (e) for calculating the scale ratio of the spectra measured in the process (b) to those measured in the process (d); a process (f) for multiplying the spectra measured in the process (d) by the scale ratio calculated in the process (e) and converting the spectra measured in the process (d); and a process for deducing the properties of the sample, by using the spectra converted in the process (f) and the working curve created in the process (c). <P>COPYRIGHT: (C)2007,JPO&amp;INPIT

Description

本発明は、近赤外線分光分析計で測定したスペクトルの変換方法に関し、光路長の異なる２つのセルにより測定された２つのスペクトルを用い、一方のセルを用いて作成されたスペクトルから作成された検量線を他方のセルで測定したスペクトルにも適用可能としたスペクトルの変換方法に関するものである。   The present invention relates to a method for converting a spectrum measured by a near-infrared spectrometer, using two spectra measured by two cells having different optical path lengths, and a calibration created from the spectrum created using one cell. The present invention relates to a spectrum conversion method in which a line can be applied to a spectrum measured in the other cell.

近年、化学、石油、生化学又は製薬、さらには食品分野など多岐にわたりその製造プロセス管理や品質管理を従来の化学分析法に代り近赤外分光分析方式を導入又は移行するための検討がなされている。   In recent years, studies have been made to introduce or transfer near-infrared spectroscopic analysis methods in place of conventional chemical analysis methods in various fields such as chemical, petroleum, biochemical or pharmaceutical, and even food fields. Yes.

近赤外分光法では、被測定物を化学的手法や物理的手法により分析しその特性値を明らかにしておき、ラボ（実験室）の近赤外分光分析計により同じ被測定物のスペクトルを求め、このスペクトルと前記特性値との関係を表す検量線を作成する。次に被測定物をラボの近赤外分光分析計によりスペクトルを測定し、このスペクトルと検量線とから被測定物の特性値を推定する。この検量線を作成するには、かなりの量の被測定物の化学分析や物理的特性の特定などの作業が必要となる。   In near-infrared spectroscopy, the measured object is analyzed by chemical or physical methods and the characteristic values are clarified, and the spectrum of the same measured object is analyzed by a near-infrared spectrometer in the laboratory (laboratory). A calibration curve representing the relationship between the spectrum and the characteristic value is created. Next, the spectrum of the object to be measured is measured with a near-infrared spectrometer in the laboratory, and the characteristic value of the object to be measured is estimated from the spectrum and the calibration curve. In order to create this calibration curve, a considerable amount of work such as chemical analysis and identification of physical properties of a measured object is required.

オンライン分析を近赤外分光法により行なう場合、ラボの近赤外分光分析計で作成した検量線をそのまま使用することはできない場合がある。回折格子などを用いた従来の分光分析計は、その構造が複雑であるため同じ構造の分光分析計でも、それぞれの分光分析計でサンプル測定を行い検量線を求めている。光分析計は光ファイバーを用いることが多いが、ラボ用（オフライン用）は光ファイバーを用いない場合が殆どであることからも、分光特性に差が生ずる。   When online analysis is performed by near-infrared spectroscopy, a calibration curve created with a laboratory near-infrared spectrometer may not be used as it is. A conventional spectroscopic analyzer using a diffraction grating has a complicated structure. Therefore, even in a spectroscopic analyzer having the same structure, a sample is measured with each spectroscopic analyzer to obtain a calibration curve. The optical analyzer often uses an optical fiber, but the lab (off-line) use of an optical fiber often does not use an optical fiber, which causes a difference in spectral characteristics.

また、回折格子を用いた光学系では、ラボ用は分光した光を対象物に当てるが、オンライン用では白色光をサンプルに照射し、透過光もしくは反射光を回折格子で分光する場合がある。このような構造が異なる分光分析計間で検量線を移設するまたは共有するための手段として多くの手法が検討されてきた。   Further, in an optical system using a diffraction grating, the light used for the laboratory is irradiated with the dispersed light, but in the case of online use, the sample may be irradiated with white light and the transmitted light or reflected light may be dispersed using the diffraction grating. Many techniques have been studied as means for transferring or sharing a calibration curve between spectrophotometers having different structures.

このような問題を解決した従来例として特開平１１−３２６０６４号公報が知られている。この従来例に記された内容は、
被測定物を化学的手法や物理的手法により分析しその特性値を明らかにしておく、次に、オフラインの近赤外分光分析計により同じ被測定物のスペクトルを求める。そして、このスペクトルと特性値との関係を表す検量線を求めておき、同じ種類の被測定物の中から少なくとも１つのサンプルを選ぶ。 Japanese Patent Laid-Open No. 11-326064 is known as a conventional example that solves such a problem. The contents described in this conventional example are as follows:
Analyze the object to be measured by a chemical method or a physical method and clarify its characteristic value, and then obtain the spectrum of the same object to be measured by an off-line near infrared spectrometer. A calibration curve representing the relationship between the spectrum and the characteristic value is obtained, and at least one sample is selected from the same type of objects to be measured.

次に、オフラインの近赤外分光分析計とオンラインの近赤外分光分析計とでスペクトルを求め、得られた両スペクトルの差を求める。そして、オンラインの近赤外分光分析計で同じ種類の被測定物のスペクトルを測定する。この測定したスペクトルを前記両スペクトルの差で修正し、この変換スペクトルと検量線を用いて被測定物の特性値を推定するものである。   Next, spectra are obtained by an offline near-infrared spectrometer and an online near-infrared spectrometer, and a difference between the obtained spectra is obtained. Then, the spectrum of the same type of object to be measured is measured with an online near-infrared spectrometer. The measured spectrum is corrected by the difference between the two spectra, and the characteristic value of the object to be measured is estimated using the converted spectrum and the calibration curve.

ところで、上述の従来例においては、オンライン近赤外分光分析計とオフライン近赤外分光分析計で同じ種類の被測定物のスペクトルを測定し、その差でオンラインの近赤外分光分析計で同じ種類の被測定物のスペクトルを修正し、その変換スペクトルと検量線を用いて被測定物の特性値を推定している。   By the way, in the above-mentioned conventional example, the spectrum of the same kind of object to be measured is measured by the online near infrared spectrometer and the offline near infrared spectrometer, and the difference is the same by the online near infrared spectrometer. The spectrum of the object to be measured is corrected, and the characteristic value of the object to be measured is estimated using the converted spectrum and the calibration curve.

ランバートベールの法則によれば、スペクトル吸光度は下式の用になっている。
スペクトル吸光度≒ｃ・ｄ・ε
ここで、ｃ；物質濃度
ｄ；光路長
ε；吸光係数
上記ランバートベールの法則によれば光学特性の異なる分光器で測定したスペクトルは光路長，吸光係数等測定機器に存在するする常数の影響を受けるため、必ずしも差スペクトルで器差を補正できない。ラボとプロセスではその測定系の差あるいはサンプルの取扱い上から異なる光路長のセルを用いてスペクトル測定を行う場合がある。本発明はそのような光路長の異なるスペクトルであっても正確な測定を可能とするもので、ラボで測定したスペクトルをオンラインで測定したスペクトルに変換することにより、オンラインのスペクトルからサンプルの成分性状を予測する方法を提供する。 According to Lambert-Beer's law, the spectral absorbance is given by:
Spectral absorbance ≒ c ・ d ・ ε
Where c: substance concentration
d: Optical path length
ε: Absorption coefficient According to Lambert-Beer's law, the spectrum measured by a spectrometer with different optical characteristics is affected by the constants existing in the measuring instrument such as the optical path length and extinction coefficient. Can not. In laboratories and processes, spectrum measurement may be performed using cells with different optical path lengths due to differences in measurement systems or sample handling. The present invention enables accurate measurement even for such spectra with different optical path lengths. By converting the spectrum measured in the laboratory to the spectrum measured online, the component properties of the sample can be converted from the online spectrum. Provide a way to predict

特開２００１−４１８７９号公報JP 2001-41879 A

このような課題を達成するために、本発明のうち請求項１記載のスペクトル変換方法は、
ａ）サンプルの特性を物理化学的方法により測定する工程と、
ｂ）第１セルに採取したサンプルのスペクトルを測定する工程と、
ｃ）工程ａで測定したサンプル特性と工程ｂで測定したスペクトルを用いて検量線を作成する工程と、
ｄ）工程ｂで用いた第１セルとは光路長の異なる第２セルを用い、工程ａで用いたサンプルと同じサンプルのスペクトルを測定する工程と、
ｅ）工程ｂで測定したスペクトルと工程ｄで測定したスペクトルのスケール比を算出する工程と、
ｆ）工程ｄで測定したスペクトルに工程ｅで算出したスケール比を乗じ、工程ｄで測定したスペクトルを変換する工程と、
ｇ）工程ｆで変換したスペクトルと工程ｃで作成した検量線を用いてサンプルの性状を推定する工程と、を含むことを特徴とする。 In order to achieve such a problem, the spectrum conversion method according to claim 1 of the present invention is:
a) measuring the characteristics of the sample by a physicochemical method;
b) measuring the spectrum of the sample collected in the first cell;
c) creating a calibration curve using the sample characteristics measured in step a and the spectrum measured in step b;
d) using a second cell having a different optical path length from the first cell used in step b, and measuring a spectrum of the same sample as the sample used in step a;
e) calculating a scale ratio between the spectrum measured in step b and the spectrum measured in step d;
f) multiplying the spectrum measured in step d by the scale ratio calculated in step e to convert the spectrum measured in step d;
and g) a step of estimating the properties of the sample using the spectrum converted in step f and the calibration curve created in step c.

請求項２においては、請求項１記載のスペクトル変換方法において、
工程ｂはオフラインでのスペクトル測定、工程ｄはオンラインでのスペクトル測定であることを特徴とする。 In claim 2, in the spectrum conversion method according to claim 1,
Step b is an off-line spectrum measurement, and step d is an on-line spectrum measurement.

本発明によれば次のような効果がある。
請求項１,２に記載の発明によれば、
サンプルの特性を物理化学的方法により測定する工程と、第１セルに採取したサンプルのスペクトルを測定する工程と、測定したサンプルの特性とこのスペクトルを用いて検量線を作成する工程と、第１セルとは光路長の異なる第２セルを用い、前述で用いたサンプルと同じサンプルのスペクトルを測定する工程と、異なる光路長の第１、第２セルを用いて測定したスペクトルのスケール比を算出する工程と、前記工程ｄで測定したスペクトルに前記スケール比を乗じ、このスペクトルを変換する工程と、この変換したスペクトルと前記検量線を用いてサンプルの性状を推定するので、正確な予測が可能であり、危険なサンプル等取り扱いが不便なサンプルの検量線作成時の省力化、効率化を図ることができる。 The present invention has the following effects.
According to invention of Claim 1, 2,
A step of measuring the characteristics of the sample by a physicochemical method, a step of measuring a spectrum of the sample collected in the first cell, a step of creating a calibration curve using the measured characteristics of the sample and the spectrum, a first Using a second cell with a different optical path length from the cell, measuring the spectrum of the same sample as the sample used above, and calculating the scale ratio of the spectrum measured using the first and second cells with different optical path lengths A step of multiplying the spectrum measured in the step d by the scale ratio and converting the spectrum, and estimating the properties of the sample using the converted spectrum and the calibration curve, so that accurate prediction is possible. Therefore, it is possible to save labor and increase efficiency when creating a calibration curve for a sample that is inconvenient to handle such as a dangerous sample.

図１は本発明のスペクトル変換方法と変換したスペクトルを用いてオンラインでサンプルの特性を推定するための工程を示す図である。
工程に従って説明する。はじめに、工程（ａ）において、サンプルの特性を物理化学的方法により測定する。次に、工程（ｂ）において、第１セルで採取したサンプルのスペクトルを測定する。 FIG. 1 is a diagram showing a process for estimating the characteristics of a sample online using the spectrum conversion method of the present invention and the converted spectrum.
It demonstrates according to a process. First, in the step (a), the characteristics of the sample are measured by a physicochemical method. Next, in step (b), the spectrum of the sample collected in the first cell is measured.

次に、工程（ｃ）において、工程ａで測定したサンプルの特性と工程（ｂ）で測定した
スペクトルを用いて検量線を作成する。
次に、工程（ｄ）において、工程ｂで用いたセルとは光路長の異なる第２セルを用い、工程ａで用いたサンプルと同じサンプルのスペクトルを測定する。
次に工程（ｅ）において、工程ｂで測定したスペクトルと工程ｄで測定したスペクトルのスケール比率（Ｃ）を
Ｃ＝Ｓ（ａ）／Ｓ（ｂ）の式により算出する。
ここで Ｓ（ａ）：オフラインでのスペクトル
Ｓ（ｂ）：オンラインでのスペクトル Next, in the step (c), a calibration curve is created using the characteristics of the sample measured in the step a and the spectrum measured in the step (b).
Next, in step (d), the spectrum of the same sample as that used in step a is measured using a second cell having a different optical path length from the cell used in step b.
Next, in step (e), the scale ratio (C) of the spectrum measured in step b and the spectrum measured in step d is
C = S (a) / S (b).
Where S (a): off-line spectrum
S (b): Online spectrum

次に工程（ｆ）において、工程ｄで測定したスペクトルに工程ｅで算出したスケール比を乗じ、工程ｄで作成したスペクトルを変換する。
次に工程（ｇ）において、工程ｆで変換したスペクトルと工程ｃで作成した検量線を用いてサンプルの性状を推定する。 Next, in step (f), the spectrum created in step d is converted by multiplying the spectrum measured in step d by the scale ratio calculated in step e.
Next, in step (g), the properties of the sample are estimated using the spectrum converted in step f and the calibration curve created in step c.

図２は本発明の前提となる光路長の異なるセルに採取したトルエンのスペクトルを示すもので、横軸を波数（ｃｍ−１）、縦軸を吸光度（絶対値）とした場合の関係を示す図である。図において（ａ）で示すスペクトルは光路長５ｍｍのキュベットを用いて測定したもの、（ｂ）で示すスペクトルは光路長６．５ｍｍ、（ｃ）で示すスペクトルは光路長１０ｍｍで測定したものである。 FIG. 2 shows the spectra of toluene collected in cells with different optical path lengths as the premise of the present invention, showing the relationship when the horizontal axis is wave number (cm −1 ) and the vertical axis is absorbance (absolute value). FIG. In the figure, the spectrum shown in (a) was measured using a cuvette with an optical path length of 5 mm, the spectrum shown in (b) was measured with an optical path length of 6.5 mm, and the spectrum shown in (c) was measured with an optical path length of 10 mm. .

図によれば、光路長の長いキュベットで測定したものが強い吸収度を示していることが分かる。
図３も本発明の前提となるもので光路長６．５ｍｍのキュベットを用いてトルエンとヘキサン−１の混合比を変えて１２種類のサンプルを測定し、横軸を波数（ｃｍ−１）、縦軸を吸光度（絶対値）とした場合のスペクトルの変化を示す図である。図３によれば混合比の違いによりスペクトルが変化していることが分かる。 According to the figure, it can be seen that the value measured with a cuvette having a long optical path length shows a strong absorbance.
FIG. 3 is also a premise of the present invention. Using a cuvette with an optical path length of 6.5 mm, 12 types of samples were measured by changing the mixing ratio of toluene and hexane-1, and the horizontal axis represents the wave number (cm −1 ). It is a figure which shows the change of the spectrum when a vertical axis | shaft is made into light absorbency (absolute value). According to FIG. 3, it can be seen that the spectrum changes due to the difference in the mixing ratio.

図４は光路長６．５ｍｍのキュベットを用いたトルエンのスペクトルで検量線（ａ）を作成し、その検量線を用いて１０ｍｍのキュベットで測定したスペクトルを予測した検量線（ｂ）を示すものである。
図によれば、大きな誤差があることが分かる。 FIG. 4 shows a calibration curve (b) in which a calibration curve (a) is prepared with a spectrum of toluene using a cuvette having an optical path length of 6.5 mm, and a spectrum measured with a 10 mm cuvette is predicted using the calibration curve. It is.
According to the figure, it can be seen that there is a large error.

図５は異なる光路長を持つスペクトルの主成分解析によるスコアプロット結果を示すもので、（ａ）で示す集団は光路長６．５ｍｍのキュベットを用いて測定したサンプルスペクトル、（ｂ）で示す集団の黒丸印は光路長１０ｍｍのキュベットを用いて測定したサンプルスペクトル、三角印で示すものは（ａ）で示す集団のスペクトルに１．５５を乗じて光路長を補正したスペクトルを示すものである。
図によれば、光路長を補正する（比を乗じる）ことにより１０ｍｍの光路長のキュベットを用いて測定したサンプルスペクトルと同じ母集団とみなせることが分かる。 FIG. 5 shows score plot results by principal component analysis of spectra having different optical path lengths. The group shown by (a) is a sample spectrum measured using a cuvette having an optical path length of 6.5 mm, and the group shown by (b). The black circle marks indicate sample spectra measured using a cuvette having an optical path length of 10 mm, and the triangle marks indicate spectra obtained by multiplying the spectrum of the group shown in (a) by 1.55 to correct the optical path length.
According to the figure, it can be seen that by correcting the optical path length (multiplying the ratio), it can be regarded as the same population as the sample spectrum measured using the cuvette having the optical path length of 10 mm.

図６（ａ）はヘキサンとトルエンの混合物を用い、スケール比を求めるために使用した波数範囲とスペクトルの吸光度（ａｂｓ）の関係を示すものである。図において、（ａ）で示すスペクトルはオンラインで光路長１０ｍｍのフローセルを用いて測定したもの、（ｂ）で示すスペクトルはオフラインで光路長６．５ｍｍのキュベットを用いて測定したスペクトルを示している。   FIG. 6A shows the relationship between the wave number range used for obtaining the scale ratio and the absorbance (abs) of the spectrum using a mixture of hexane and toluene. In the figure, the spectrum shown in (a) is measured online using a flow cell having an optical path length of 10 mm, and the spectrum shown in (b) is offline and measured using a cuvette having an optical path length of 6.5 mm. .

図６（ｂ）は横軸を光路長１０ｍｍのサンプルスペクトルの吸光度（ａｂｓ）とし、縦軸に光路長６．５ｍｍのサンプルスペクトルの吸光度（ａｂｓ）とした関係を示すもので、補正するスケールを得た例を示している。ここでは、６．５ｍｍと１０ｍｍの光路長のスペクトルの吸光比から最小２乗法で補正スケールを求めている。
線分（ａ）はｙ＝０．６２５ｘとなっており、この逆数１／０．６２５≒１．５５はスケール比を示している。 FIG. 6B shows the relationship in which the horizontal axis represents the absorbance (abs) of the sample spectrum with an optical path length of 10 mm, and the vertical axis represents the absorbance (abs) of the sample spectrum with an optical path length of 6.5 mm. An example obtained is shown. Here, the correction scale is obtained by the least square method from the light absorption ratio of the optical path length spectra of 6.5 mm and 10 mm.
The line segment (a) is y = 0.625x, and the reciprocal 1 / 0.625≈1.55 indicates the scale ratio.

図７はオンラインスペクトル（光路長1０ｍｍ）をラボスペクトルの光路長を持つスペクトルに変換し、検量線を使用して予測した結果を示すものである。図４に示す１０ｍｍの光路長を持つセルで予測した結果に比較して、誤差が大幅に改善されていることが分かる。このことは、異なる光路長のキュベットで測定したスペクトルであっても所定の比率を乗じて変換することにより誤差のない推定を行うことを示している。   FIG. 7 shows a result obtained by converting an online spectrum (optical path length: 10 mm) into a spectrum having an optical path length of a laboratory spectrum and using a calibration curve. It can be seen that the error is greatly improved compared to the result predicted by the cell having the optical path length of 10 mm shown in FIG. This indicates that even if the spectra are measured with cuvettes having different optical path lengths, estimation without error is performed by multiplying by a predetermined ratio.

なお、本実施例では検量線作成スペクトルのピーク高さを変換したが、オンライン測定スペクトルの高さを変換してもよい。その場合はオンライン測定ごとにスペクトル高さを調整する必要がある。   In this embodiment, the peak height of the calibration curve creation spectrum is converted, but the height of the online measurement spectrum may be converted. In that case, it is necessary to adjust the spectral height for each online measurement.

また、本実施例ではベースライン補正をした生スペクトルを使用したが、一次微分、２次微分を使用した後スペクトルの高さ変換を行ってもよい。また、本実施例ではスペクトルの変換として比率を乗じたが、
スペクトル（ラボ）／スペクトル（オンライン）の比のスペクトルを用いてもよい。 Moreover, although the raw spectrum which carried out the base line correction | amendment was used in a present Example, you may perform the height conversion of a spectrum after using a primary differentiation and a secondary differentiation. In this example, the ratio is multiplied as the spectrum conversion.
A spectrum with a ratio of spectrum (lab) / spectrum (online) may be used.

なお、以上の説明は、本発明の説明および例示を目的として特定の好適な実施例を示したに過ぎない。従って本発明は、上記実施例に限定されることなく、その本質から逸脱しない範囲で更に多くの変更、変形を含むものである。   The above description merely shows a specific preferred embodiment for the purpose of explanation and illustration of the present invention. Therefore, the present invention is not limited to the above-described embodiments, and includes many changes and modifications without departing from the essence thereof.

本発明のスペクトル変換方法の一例を示す工程説明図である。It is process explanatory drawing which shows an example of the spectrum conversion method of this invention. 光路長の異なるセルに採取したトルエンのスペクトルを示す図である。It is a figure which shows the spectrum of toluene extract | collected to the cell from which optical path length differs. トルエンとヘキサン−１の混合比を変えてスペクトルを測定した図である。It is the figure which changed the mixing ratio of toluene and hexane-1 and measured the spectrum. トルエンのスペクトルで検量線を作成し、その検量線を用いて光路長の異なるセルで測定したスペクトルを予測した検量線を示す図である。It is a figure which shows the calibration curve which created the calibration curve with the spectrum of toluene, and estimated the spectrum measured in the cell from which optical path length differs using the calibration curve. 異なる光路長を持つスペクトルの主成分解析結果を示す図である。It is a figure which shows the principal component analysis result of the spectrum with different optical path length. スケール比を求めるために使用した波数範囲とスペクトルの吸光度の関係を示す図（ａ）および図（ａ）を用いて補正するスケールを得た例を示す図である。It is a figure which shows the example which obtained the scale corrected using the figure (a) and figure (a) which show the relationship between the wave number range used in order to obtain | require a scale ratio, and the light absorbency of a spectrum. 測定したサンプルスペクトルに常数を乗じてスペクトルを変換し、光路長が異なるサンプルスペクトルと比較した図である。It is the figure which converted the spectrum by multiplying the measured sample spectrum by a constant, and compared with the sample spectrum from which optical path length differs.

Claims (2)

下記の工程を含むことを特徴とするスペクトル変換方法。
記
ａ）サンプルの特性を物理化学的方法により測定する工程
ｂ）第１セルに採取したサンプルのスペクトルを測定する工程、
ｃ）工程ａで測定したサンプルの特性と工程ｂで測定したスペクトルを用いて検量線を作成する工程、
ｄ）工程ｂで用いた第１セルとは光路長の異なる第２セルを用い、工程ａで用いたサンプルと同じサンプルのスペクトルを測定する工程、
ｅ）工程ｂで測定したスペクトルと工程ｄで測定したスケール比を算出する工程、
ｆ）工程ｄで測定したスペクトルに工程ｅで算出したスケール比を乗じ、工程ｄで測定したスペクトルを変換する工程、
ｇ）工程ｆで変換したスペクトルと工程ｃで作成した検量線を用いてサンプルの性状を推定する工程。 The spectrum conversion method characterized by including the following processes.
A) a step of measuring the characteristics of the sample by a physicochemical method b) a step of measuring the spectrum of the sample collected in the first cell;
c) creating a calibration curve using the characteristics of the sample measured in step a and the spectrum measured in step b;
d) using a second cell having a different optical path length from the first cell used in step b and measuring a spectrum of the same sample as the sample used in step a;
e) calculating the scale ratio measured in step b and the spectrum measured in step b;
f) The step of multiplying the spectrum measured in step d by multiplying the spectrum measured in step d by the scale ratio calculated in step e,
g) A step of estimating the properties of the sample using the spectrum converted in step f and the calibration curve created in step c. 工程ｂはオフラインでのスペクトル測定、工程ｄはオンラインでのスペクトル測定であることを特徴とする請求項１記載のスペクトル変換方法。
2. The spectral conversion method according to claim 1, wherein step b is an off-line spectrum measurement, and step d is an on-line spectrum measurement.
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Citations (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPS6486041A (en) * 1987-07-01 1989-03-30 Kyoto Electronics Mfg Calibration for 2-wavelength absorption spectrophotometer
WO2004086010A1 (en) * 2003-03-24 2004-10-07 Hitachi Software Engineering Co., Ltd. Absorbance reader, absorbance reader control method, and absorbance calculation program
JP2006010500A (en) * 2004-06-25 2006-01-12 Fuji Heavy Ind Ltd Formaldehyde treating device and formaldehyde concentration measuring method

Patent Citations (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPS6486041A (en) * 1987-07-01 1989-03-30 Kyoto Electronics Mfg Calibration for 2-wavelength absorption spectrophotometer
WO2004086010A1 (en) * 2003-03-24 2004-10-07 Hitachi Software Engineering Co., Ltd. Absorbance reader, absorbance reader control method, and absorbance calculation program
JP2006010500A (en) * 2004-06-25 2006-01-12 Fuji Heavy Ind Ltd Formaldehyde treating device and formaldehyde concentration measuring method

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