CAJ | 학술논문

针对混合气体红外光谱在应用现场基线漂移和畸变、基线校正方法Rubberband方法中分段数量的选择不确定等问题进行探讨，通过遍历的形式筛选出针对烃类气体在中红外波段、波数分辨率为4 cm-1的情况下，优选出分段数量在50~120之间、基线点的曲线拟合方法选择分段三次Hermite插值方法时，其基线估计和校正的效果较为理想。同时针对Rubberband方法易将吸收点误判为基线点的问题，使用中位数和偏离度首先剔除分段内的明显吸收点，然后将剩余谱线点采用偏最小二乘方法设定一定的阈值范围进行基线点的筛选，筛选出的基线点在整个波段采用分段三次Hermite插值方法进行基线的估计。从实测的光谱基线校正效果来看，提出的算法使用简单，并适合于在线连续分析的应用场合。
침대혼합기체홍외광보재응용현장기선표이화기변、기선교정방법Rubberband방법중분단수량적선택불학정등문제진행탐토，통과편력적형식사선출침대경류기체재중홍외파단、파수분변솔위4 cm-1적정황하，우선출분단수량재50~120지간、기선점적곡선의합방법선택분단삼차Hermite삽치방법시，기기선고계화교정적효과교위이상。동시침대Rubberband방법역장흡수점오판위기선점적문제，사용중위수화편리도수선척제분단내적명현흡수점，연후장잉여보선점채용편최소이승방법설정일정적역치범위진행기선점적사선，사선출적기선점재정개파단채용분단삼차Hermite삽치방법진행기선적고계。종실측적광보기선교정효과래간，제출적산법사용간단，병괄합우재선련속분석적응용장합。
The problems of baseline drifting and distortion of mixed gases infrared spectra in the application field and the uncertain choice of the Rubberband’s piecewise quantity were discussed. In the situation of the spectrometer resolution of 4 cm-1 and mid-infrared band for the hydrocarbon gases, the baseline estimation and correction would be more ideal in the case of the piecewise quantity was set in the 50-120 and piecewise cubic Hermite interpolation method was selected to fit the baseline points by the ergodic method. For the problem of absorption points,which was mistaked as the baseline points, first of all, the obvious absorption points within the segment were eliminated by the method of the median and deviation. And then, the baseline points were selected by the partial least square method and certain threshold was set in the residual baseline points. Lastly, the selected baseline points was used to estimate the baseline by piecewise cubic Hermite interpolation method in the whole band. From the baseline correction result of the measured spectra, the provided method was simple and fast, and also suitable for on-line continuous analysis applications.