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APPLICATION STUDY OF CHEMOINFOMETRICAL NEAR-INFRARED SPECTROSCOPY IN PHARMACEUTICAL INDUSTRY

  • Otsuka, Makoto;Kato, Fumie;Matsuda, Yoshihisa
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.2111-2111
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    • 2001
  • A chemoinfometrical method for evaluating the quantitative determination of crystallinity one polymorphs based on fourie-transformed near-infrared (FT-NIR) spectroscopy was established. A direct comparison of the data with the ones collected from using the and compared with the conventional powder X-ray diffraction method was performed. [Method] The pPure a and g forms of indomethacin (IMC) were prepared by reportedusing published methods. Six kinds of standard samples obtained by physically mixing of a and g forms. After the powder X-ray diffraction profiles of samples have been measured, the intensity values were normalized to against the intensity of silicon powder as the as an external standard. The calibration curves for quantification of crystal content were based upon the total relative intensity of four diffraction peaks from of the form g crystal. FT-NIR spectra of six calibration sample sets were recorded 5 times with the NIR spectrometer (BRAN+LUEBBE). Chemoinfometric analysis was performed on the NIR spectral data sets by applying the principal component regression (PCR). [Results] The relation between the actual and predicted polymorphic contents of form g IMC measured using by the X-ray diffraction method shows a good straight linen linear relation., and it has slope of 0.023, an intercept of 0.131 and a correlation coefficient of 0.986. PCR analyses wereis was performed based on normalized NIR spectra sets offer standard samples of known content of IMC g form. IMC. A calibration equation was determined to minimize the root mean square error of the predictionthe prediction. Figure 1 shows a plot of the calibration data obtained by NIR method between the actual and predicted contents of form g IMC. The predicted values were reproducible and had a smaller standard deviation. Figure 2 shows that the plot for the predicted transformation rate (%) of form a IMC to form g as measured by X-ray diffractomeoy against to those as measured by NIR method. The plot has a slope of 1.296, an intercept of 1,109, and a correlation coefficient of 0.992. The line represents a satisfactory correlation between the two predicted values of form g IMC content. Thus NIR spectroscopy is an effective method for the evaluation to the pharmaceutical products of quantitative of polymorph.

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COMPARISON OF LINEAR AND NON-LINEAR NIR CALIBRATION METHODS USING LARGE FORAGE DATABASES

  • Berzaghi, Paolo;Flinn, Peter C.;Dardenne, Pierre;Lagerholm, Martin;Shenk, John S.;Westerhaus, Mark O.;Cowe, Ian A.
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1141-1141
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    • 2001
  • The aim of the study was to evaluate the performance of 3 calibration methods, modified partial least squares (MPLS), local PLS (LOCAL) and artificial neural network (ANN) on the prediction of chemical composition of forages, using a large NIR database. The study used forage samples (n=25,977) from Australia, Europe (Belgium, Germany, Italy and Sweden) and North America (Canada and U.S.A) with information relative to moisture, crude protein and neutral detergent fibre content. The spectra of the samples were collected with 10 different Foss NIR Systems instruments, which were either standardized or not standardized to one master instrument. The spectra were trimmed to a wavelength range between 1100 and 2498 nm. Two data sets, one standardized (IVAL) and the other not standardized (SVAL) were used as independent validation sets, but 10% of both sets were omitted and kept for later expansion of the calibration database. The remaining samples were combined into one database (n=21,696), which was split into 75% calibration (CALBASE) and 25% validation (VALBASE). The chemical components in the 3 validation data sets were predicted with each model derived from CALBASE using the calibration database before and after it was expanded with 10% of the samples from IVAL and SVAL data sets. Calibration performance was evaluated using standard error of prediction corrected for bias (SEP(C)), bias, slope and R2. None of the models appeared to be consistently better across all validation sets. VALBASE was predicted well by all models, with smaller SEP(C) and bias values than for IVAL and SVAL. This was not surprising as VALBASE was selected from the calibration database and it had a sample population similar to CALBASE, whereas IVAL and SVAL were completely independent validation sets. In most cases, Local and ANN models, but not modified PLS, showed considerable improvement in the prediction of IVAL and SVAL after the calibration database had been expanded with the 10% samples of IVAL and SVAL reserved for calibration expansion. The effects of sample processing, instrument standardization and differences in reference procedure were partially confounded in the validation sets, so it was not possible to determine which factors were most important. Further work on the development of large databases must address the problems of standardization of instruments, harmonization and standardization of laboratory procedures and even more importantly, the definition of the database population.

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Geocoding of the Free Stereo Mosaic Image Generated from Video Sequences (비디오 프레임 영상으로부터 제작된 자유 입체 모자이크 영상의 실좌표 등록)

  • Noh, Myoung-Jong;Cho, Woo-Sug;Park, Jun-Ku;Kim, Jung-Sub;Koh, Jin-Woo
    • Journal of the Korean Society of Surveying, Geodesy, Photogrammetry and Cartography
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    • v.29 no.3
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    • pp.249-255
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    • 2011
  • The free-stereo mosaics image without GPS/INS and ground control data can be generated by using relative orientation parameters on the 3D model coordinate system. Its origin is located in one reference frame image. A 3D coordinate calculated by conjugate points on the free-stereo mosaic images is represented on the 3D model coordinate system. For determining 3D coordinate on the 3D absolute coordinate system utilizing conjugate points on the free-stereo mosaic images, transformation methodology is required for transforming 3D model coordinate into 3D absolute coordinate. Generally, the 3D similarity transformation is used for transforming each other 3D coordinates. Error of 3D model coordinates used in the free-stereo mosaic images is non-linearly increased according to distance from 3D model coordinate and origin point. For this reason, 3D model coordinates used in the free-stereo mosaic images are difficult to transform into 3D absolute coordinates by using linear transformation. Therefore, methodology for transforming nonlinear 3D model coordinate into 3D absolute coordinate is needed. Also methodology for resampling the free-stereo mosaic image to the geo-stereo mosaic image is needed for overlapping digital map on absolute coordinate and stereo mosaic images. In this paper, we propose a 3D non-linear transformation for converting 3D model coordinate in the free-stereo mosaic image to 3D absolute coordinate, and a 2D non-linear transformation based on 3D non-linear transformation converting the free-stereo mosaic image to the geo-stereo mosaic image.

Sensitivity Analysis of Surface Reflectance Retrieved from 6SV LUT for Each Channel of KOMPSAT-3/3A (KOMPSAT-3/3A 채널별 6SV 조견표의 지표반사도 민감도 분석)

  • Jung, Daeseong;Jin, Donghyun;Seong, Noh-Hun;Lee, Kyeong-Sang;Seo, Minji;Choi, Sungwon;Sim, Suyoung;Han, Kyung-Soo;Kim, Bo-Ram
    • Korean Journal of Remote Sensing
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    • v.36 no.5_1
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    • pp.785-791
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    • 2020
  • The radiance measured from satellite has noise due to atmospheric effect. Atmospheric correction is the process of calculating surface reflectance by removing atmospheric effect and surface reflectance is calculated by the Radiative Transfer Model (RTM)-based Look-Up Table (LUT). In general, studies using a LUT make LUT for each channel with the same atmospheric and geometric conditions. However, atmospheric effect of atmospheric factors do not react sensitively in the same channel. In this study, the LUT for each channel of Korea Multi-Purpose SATellite (KOMPSAT)-3/3A was made under the same atmospheric·geometric conditions. And, the accuracy of the LUT was verified by using the simulated Top of Atmosphere radiation and surface reflectance in the RTM. As a result, the relative error of the surface reflectance in the blue channel that sensitive to the aerosol optical depth was 81.14% at the maximum, and 42.67% in the NIR (Near Infrared) channel.

Wearable wireless respiratory monitoring system (의복착용형 무선 호흡모니터 시스템)

  • Lee, In-Kwang;Kim, Seong-Sik;Jang, Jong-Chan;Kim, Koon-Jin;Kim, Kyung-Ah;Lee, Tae-Soo;Cha, Eun-Jong
    • Journal of Sensor Science and Technology
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    • v.17 no.2
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    • pp.133-142
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    • 2008
  • Respiration is induced by muscular contraction of the chest and abdomen, resulting in the abdominal volume change. Thus, continuous measurement of the abdominal dimension enables to monitor breathing activity. Conductive rubber cord has been previously introduced and tested to develop wearable application for respiratory measurements. The present study implemented wireless wearable respiratory monitoring system with the conductive rubber cord in the patient's pants. Signal extraction circuitry was developed to obtain the abdominal circumference changes reflecting the lung volume variation caused by respiratory activity. Wireless transmission was followed based on the zigbee communication protocol in a size of 65mm${\times}$105mm easily put in pocket. Successful wireless monitoring of respiration was performed in that breathing frequency was accurately estimated as well as different breathing patterns were easily recognized from the abdominal signal. $CO_2$ inhalation experiment was additionally performed in purpose of quantitative estimation of tidal volume. Air mixed with $0{\sim}5%\;CO_2$was inhaled by 4 normal males and the respiratory air flow rate, abdominal dimension change, and end tidal $CO_2$ concentration were simultaneously measured in steady state. $CO_2$ inhalation increased the tidal volume in normal physiological state with a correlation coefficient of 0.90 between the tidal volume and the end tidal $CO_2$ concentration. The tidal volume estimated from the abdominal signal linearly correlated with the accurate tidal volume measured by pneumotachometer with a correlation coefficient of 0.88 with mean relative error of approximately 8%. Therefore, the tidal volume was accurately estimated by measuring the abdominal dimension change.

Real-time Upstream Inflow Forecasting for Flood Management of Estuary Dam (담수호 홍수관리를 위한 상류 유입량 실시간 예측)

  • Kang, Min-Goo;Park, Seung-Woo;Kang, Moon-Seong
    • Journal of Korea Water Resources Association
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    • v.38 no.12 s.161
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    • pp.1061-1072
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    • 2005
  • A hydrological grey model is developed to forecast short-term river runoff from the Naju watershed located at upstream of the Youngsan estuary dam in Korea. The runoff of the Naju watershed is measured in real time at the Naju streamflow gauge station, which is a key station for forecasting the upstream inflow and operating the gates of the estuary dam in flood period. The model's governing equation is formulated on the basis of the grey system theory. The model parameters are reparameterized in combination with the grey system parameters and estimated with the annealing-simplex method In conjunction with an objective function, HMLE. To forecast accurately runoff, the fifth order differential equation was adopted as the governing equation of the model in consideration of the statistic values between the observed and forecast runoff. In calibration, RMSE values between the observed and simulated runoff of two and six Hours ahead using the model range from 3.1 to 290.5 $m^{3}/s,\;R^2$ values range from 0.909 to 0.999. In verification, RMSE values range from 26.4 to 147.4 $m^{3}/s,\;R^2$ values range from 0.940 to 0.998, compared to the observed data. In forecasting runoff in real time, the relative error values with lead-time and river stage range from -23.4 to $14.3\%$ and increase as the lead time increases. The results in this study demonstrate that the proposed model can reasonably and efficiently forecast runoff for one to six Hours ahead.

Evaluation and Application of QUAL2E and QUAL2K Models in Anyang Stream (안양천에서 QUAL2E와 QUAL2K 모델의 적용 및 평가)

  • Jung, Sung-Soo;Kim, Kyung-Sub
    • Journal of Korean Society of Environmental Engineers
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    • v.30 no.5
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    • pp.544-551
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    • 2008
  • QUAL2K enhanced QUAL2E and applied in real fields efficiently incorporates denitrification process, sediment-water interaction process, bottom algae and detritus. Also, the CBOD of QUAL2K is divided into two real parts, one is slow CBOD(sCBOD) and another is fast CBOD(fCBOD). The simulation results of QUAL2E and QUAL2K models in Anyang Stream were compared and analyzed in water quality constituents of DO, BOD, Org-N, NH$_3$-N, NO$_3$-N, Org-P, Dis-P and Chl-a respectively. The similar results were shown in Org-N, NH$_3$-N, Org-P and Chl-a both QUAL2K and QUAL2E models. But the different results were revealed in DO, BOD, Dis-P and NO$_3$-N by the influence of new incorporating processes. DO was shown relatively low values in the effect of bottom algae. BOD which is influenced by particulate organic matter was revealed high values. NO$_3$-N was closed to the real values by the two processes of denitrification and sediment-water interaction. To evaluate the running results of QUAL2K and QUAL2E models, a simple statistical analysis was conducted. According to the statistical analysis, QUAL2K represented less relative error and coefficient of variation than QUAL2E in almost all of constituents. It was found that QUAL2K, which simulates the water quality more realistically, can be applied to control and manage the water problems of river or river-run reservoir effectively.

Some considerations for the determination of carbonyl compounds in air: Reaction characteristics of formaldehyde with 2.4-DNPH (대기 중 카보닐 계열 성분의 분석기법의 연구: 포름알데하이드와 DNPH의 반응 특성을 중심으로)

  • Hong, Y.J.;Kim, K.H.
    • Analytical Science and Technology
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    • v.18 no.1
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    • pp.43-50
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    • 2005
  • A number of carbonyl compounds including formaldehyde and acetaldehyde are well known for their toxicity and irritancy. Hence, acquisition of both qualitative and quantitative tool for their analysis is essential to resolve issues associated with malodor or indoor pollution. Using HPLC/UV method, we examined various aspects involved in the measurements of formaldehyde in environmental samples. The results of our analysis indicated that its detection was made as low as 0.5 ppb (assuming 5 L of sample volume), while its precision was maintained near 2% in terms of relative standard error (RSE). When the stability of calibration was checked by variability of slope values obtained over long-term period (e.g., one month), its values were found to remain constantly with RSE values of 3%. It was also found that liquid-phase reaction between formaldehyde and DNPH proceed very slowly to attain equilibrium (one and half hour), while requiring adequate amount of DNPH to form their derivatives. The overall results of our study thus suggest that there are a number of factors to consider for the accurate analysis of formaldehyde in ambient air.

Direct Determination of Molybdenum in Simulated Nuclear Spent Fuels by Inductively Coupled Plasma Atomic Emission Spectrometry (유도결합플라스마 원자방출분광법을 이용한 모의 사용후핵연료 중 몰리브덴 분석)

  • Choi, Kwang Soon;Lee, Chang Heon;Park, Soon Dal;Park, Yang Soon;Joe, Kih Soo
    • Analytical Science and Technology
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    • v.13 no.3
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    • pp.291-296
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    • 2000
  • The SIMFUEL which composition is similar to PWR nuclear spent fuels was dissolved with a acid digestion bomb. An analytical conditions of ICP-AES for the direct determination of molybdenum in the uranium matrices without separation process were investigated. Based on the effect of uranium on molybdenum intensity. the most optimum wavelengths of molybdenum were found to be 202.030 and 203.844 nm. However, the method of standard additions is applied to overcome the effects of changing background caused by analyzing the sample solutions containing high concentration of uranium and the standard calibration solutions. The relative error of two methods, direct and indirect measurements with cation exchange resin separation procedures, was less than 5%. Therefore it was possible for this procedure to directly measure molybdenum in uranium matrices without separation. And this method was also applied to the determination of several percent of molybdenum in a U-Mo alloy.

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Determination of Natural Gas Components by Gas Chromatographic Multicolumn System (기체 크로마토그래피 복합컬럼 시스템에 의한 천연가스 성분의 정량)

  • Choi, Yong-Wook;Choe, Kun-Hyung
    • Analytical Science and Technology
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    • v.7 no.3
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    • pp.339-347
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    • 1994
  • A multicolumn system consisted of two valve(10-port and 6-port valve)-three column (28% DC 200, SP 1700 and Chromosorb 102 column) was developed. Nine natural gas components composed of $N_2$, $CH_4$, $CO_2$, $C_2H_6$, $C_3H_8$, $i-C_4H_{10}$, $n-C_4H_{10}$, $i-C_5H_{12}$$n-C_5H_{12}$ completed all the baseline separation within 18 minutes. The accuracy and the precision of this system was tested. The retention times and the peak areas were determined with a repeatability between 0.02 and 0.16%, and less than 1%, respectively. Calibration curves for natural-gas components were plotted by the partial pressure injection method of pure gases, and good linear relationships for each component were presented. By using these calibration curves the accuracy of the multicolumn system compaired with that of the single column system for a certified standard gas of natural gas. As a result, relative error in the single and the multicolumn system was less than 0.5% and 0.04%, respectively. The result of application of this system in the analysis of importing LNG composition showed that the heating values calculated by the multicolum system were estimated lower compared with those calculated by the single column system and consequently, the importing price of LNG was able to be cut down.

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