• 제목/요약/키워드: least squares cross-validation

검색결과 88건 처리시간 0.028초

Evaluation of Millet (Panicum miliaceum subsp. miliaceum) Germplasm For Seed Fatty Acids Using Near-Infrared Reflectance Spectroscopy

  • Lee, Young-Yi;Kim, Jung-Bong;Lee, Ho-Sun;Jeon, Young-A;Lee, Sok-Young;Kim, Chung-Kon
    • 한국작물학회지
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    • 제57권1호
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    • pp.29-34
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    • 2012
  • The objective of this study was to rapidly evaluate fatty acids in a collection of millet (Panicum miliaceum subsp. miliaceum) of different origins so that this information could be disseminated to breeders to advance germplasm use and breeding. To develop the calibration equations for rapid and nondestructive evaluation of fatty acid content, near-infrared reflectance spectroscopy (NIRs) spectra (1104-2494 nm) of samples ground into flour ($n$=100) were obtained using a dispersive spectrometer. A modified partial least-squares model was developed to predict each component. For foxtail millet germplasm, our models returned coefficients of determination ($R^2$) of 0.89, 0.89, 0.89, and 0.92 for palmitic acid, oleic acid, linoleic acid, and total fatty acids, respectively. The prediction of the external validation set (n=10) showed significant correlation between references values and NIRs values ($r^2$=0.64, 0.90, 0.79, and 0.89 for palmitic acid, oleic acid, linoleic acid, and total fatty acids, respectively). Standard deviation/standard errors of cross-validation (SD/SECV) values were close to 3 (2.62, 2.40, 1.85, and 2.23 for palmitic acid, oleic acid, linoleic acid, and total fatty acids, respectively). These results indicate that these NIRs equations are functional for the mass screening and rapid quantification of the oleic and total fatty acids characterizing millet germplasm. Among the samples, IT153514 showed an especially high content of fatty acids ($48.14mg\;g^{-1}$), whereas IT123909 had a very low content ($34.44mg\;g^{-1}$).

Application of Near-Infrared Reflectance Spectroscopy to Rapid Determination of Seed Fatty Acids in Foxtail Millet (Setaria italica (L.) P. Beauv) Germplasm

  • Lee, Young Yi;Kim, Jung Bong;Lee, Sok Young;Lee, Ho Sun;Gwag, Jae Gyun;Kim, Chung Kon;Lee, Yong Beom
    • 한국육종학회지
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    • 제42권5호
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    • pp.448-454
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    • 2010
  • The objective of this study was to rapidly evaluate fatty acids in a collection of foxtail millet (Setaria italica (L.) P. Beauv) of different origins so that this information could be disseminated to breeders to advance germplasm use and breeding. To develop the calibration equations for rapid and nondestructive evaluation of fatty acid content, near-infrared reflectance spectroscopy (NIRs) spectra (1104-2494 nm) of samples ground into flour (n=100) were obtained using a dispersive spectrometer. A modified partial least-squares model was developed to predict each component. For foxtail millet germplasm, our models returned coefficients of determination ($R^2$) of 0.91, 0.89, 0.98 and 0.98 for strearic acid, oleic acid, linoleic acid, and total fatty acids, respectively. The prediction of the external validation set (n=10) showed significant correlation between references values and NIRs values ($r^2=0.97$, 0.91, 0.99 for oleic, linoleic, and total fatty acids, respectively). Standard deviation/standard error of cross-validation (SD/SECV) values were greater than 3 (3.11, 5.45, and 7.50 for oleic, linoleic, and total fatty acids, respectively). These results indicate that these NIRs equations are functional for the mass screening and rapid quantification of the oleic, linolenic, and total fatty acids characterizing foxtail millet germplasm. Among the samples, IT153491 showed an especially high content of fatty acids ($84.06mg\;g^{-1}$), whereas IT188096 had a very low content ($29.92mg\;g^{-1}$).

근적외선 분광광도계를 이용한 차제품의 표면 색상 및 발효정도 측정 (Measurement of Surface Color and Fermentation Degree in Tea Products Using NIRS)

  • 천종은
    • 한국작물학회지
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    • 제54권1호
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    • pp.55-60
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    • 2009
  • 녹차, 부분발효차 및 발효차 등 다양한 차제품 117개 제품을 수집하여 분말화하여 측색계로 각 차제품의 표면 색상을 측정한 후 NIRS를 이용하여 가시광선 대역($400{\sim}700$ nm)에서 스펙트럼을 얻어 중회귀분석에 의해 각각 색상 관련 특성에 대한 검량식을 작성하였다. 1. 측색계로 제품의 색상을 측정한 결과 CIE color scale에서 L값(6.98), a값(0.25) 및 b값(15.42)이 높았으나, a/b(0.09)값은 Hunter color scale에서 높았다. 또한 색상관련 특성 $a^*$(a)와 $a^*/b^*$(a/b)의 변이계수가 $317.2{\sim}327.5%$$293.8{\sim}316.7%$로 제품간 변이성이 매우 컸다. 2. CIE color scale와 Hunter color scale에서 발효정도($X_9$)의 변이를 $a^*/b^*(X_4)$나 a/b($X_8$)로 99.7% 설명될 수 있어 $a^*/b^*$(a/b)값으로 차제품의 발효정도를 추정할 수 있다. 3. Modified partial least square(MPLS)를 이용하여 작성된 검량식의 결과 두 color scale을 종합하여 L값의 검량식 작성시 결정계수($R^2$)는 $0.973{\sim}0.977$, 검증시 상관도(1-VR) $0.969{\sim}0.972$, a값의 결정계수는 0.999, 검증시 상관도 0.998, b값의 결정계수는 $0.858{\sim}0.902$, 검증시 상관도 $0.833{\sim}0.888$, a/b값의 결정계수는 0.997, 검증시 상관도 0.993으로 매우 높았다. 4. 차 제품 표면 색상관련 특성들(CIE color scale; $L^*$, $a^*$, $b^*$, $a^*/b^*$, Hunter color scale; L, a, b, a/b)의 검량식 정확도가 매우 높아서 NIRS의 가시광선 대역($400{\sim}700\;nm$)에서 이들 특성을 용이하고 정밀하게 측정할 수가 있으며, 또한 근적외선 대역($900{\sim}2500\;nm$)에서 기존 성분분석 화일과 병합하여(merge) 차 제품의 표면 색상 및 화학적 성분을 $1{\sim}2$분내로 동시에 측정이 가능하다.

Prediction of the content of white clover and perennial ryegrass in fresh or dry mixtures made up from pure botanical samples, by near infrared spectroscopy

  • Blanco, Jose A.;Alomar, Daniel J.;Fuchslocher, Rita I.
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1266-1266
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    • 2001
  • Pasture composition, an important attribute determining sward condition and value, is normally assessed by hand separation, drying and measuring weight contribution of each species in the mixture. This is a tedious, time and labour consuming procedure. NIRS has demonstrated the potential for predicting botanical composition of swards, but most of the work has been carried out on dry samples. The aim of this work was to evaluate the feasibility of developing NIR models for predicting the white clover and ryegrass content in fresh or dry mixtures artificially prepared from pure samples of both species. Mixtures from pure stands of white clover(Trifolium repens) and perennial ryegrass (Lolium perenne) were prepared with different proportions (0 to 100%) of each species (fresh weight). A total of 55 samples were made (11 mixtures,5 cuts). Spectra (400 to 2500 nm) were taken from fresh chopped (rectangular cuvettes, transport sample module) samples, in a NIR Systems 6500 scanning monochromator controlled by the software NIRS 3 (Infrasoft International), which was also utilized for calibration development. Different math treatments (derivative order, subtraction gap and smooth segment) and a scatter correction treatment of the spectra (SNV and Detrend) were tested. Equations were developed by modified partial least squares. Prediction accuracy evaluated by cross-validation, showed that percentage of clover or ryegrass, as contribution in dry weight, can be successfully percentage of clover or ryegrass, as contribution in dry weight, can be successfully predicted either on fresh or dried samples, with equations developed by different math treatments. Best equations for fresh samples were developed including a first, second, or third derivative, whereas for dry samples best equations included a second or third derivative. Standard errors of ross validation were about 6% for fresh and 3.6% for dry samples, Coefficient of determination of cross validation (1-VR) were over 0.95 times the value of SECV for fresh samples and over 8 times the value of SECV for dry samples. Scatter correction (SNV and Detrend) in general improved prediction accuracy. It is concluded more precise on dried and ground samples, it can be used with an acceptable error level and less time and labour, on fresh samples.

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초분광 영상을 이용한 배추의 생육 추정 (Estimation of Vegetation for Chinese Cabbage Using Hyperspectral Imagery)

  • 김원준;강예성;김성헌;강정균;전새롬;타파스쿠마;유찬석
    • 한국농업기계학회:학술대회논문집
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    • 한국농업기계학회 2017년도 춘계공동학술대회
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    • pp.40-40
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    • 2017
  • 본 연구는 빛의 파장대가 넓어 보다 다양한 접근과 검출이 가능한 초분광 카메라 (VNIR spectral camera PS, SPECIN Filand)를 이용하여 정식시기가 다른 배추를 생육단계별로 영상을 취득한 후 배추 캐노피의 전 파장 (400~1000nm)으로 생육 추정모델을 개발하기 위해 수행하였다. 정식시기가 다른 배추를 생육단계별로 초분광 카메라로 영상을 취득한 후 취득된 영상 ($348{\times}1040$)을 ENVI (ver. 5.2, Exelis Visual Information Solutions, USA) 프로그램을 이용하여 식생지수 NDVI로 작물과 배경을 구분하였다. 배추 캐노피 영역에 전 파장을 산출한 후 반사판 영역의 전 파장을 이용하여 광 보정된 반사율을 산출하였다. 통계 프로그램인 R Project (ver.3.3.3, Development Core Team, Vienna, Austria)를 이용하여 배추의 반사율과 계측한 생육 정보를 PLSR (Partial least squares regression) 분석하여 정확도($R^2$) 및 정밀도 (RMSE [g,cm,count], RE [%])로 나타내었고 그 모델은 full-cross validation (FV) 하여 타당성을 검증하였다. 정식시기가 다른 배추의 모든 생육단계의 생육정보를 이용하여 PLSR (Partial least squares regression) 결과 엽장을 추정한 모델의 $R^2$는 84% 이상의 정확도와 RMSE 3.2cm 이하의 좋은 정밀도를 보였다. 엽폭을 추정한 모델의 $R^2$는 73% 이상의 정확도와 RMSE 3.5cm 이하의 정밀도를 보였고 엽수를 추정한 모델의 $R^2$는 93% 이상의 정확도와 RMSE 6.3Count 이하의 정밀도로 보여 캐노피의 전 파장을 이용해 생육을 추정하는 것이 가능하다고 판단되었으며 이 모델들의 타당성 검증에서도 좋은 정확도와 정밀도를 보였다. 그러나 배추의 중요한 생육인자 중 생체중을 추정한 모델의 $R^2$는 89% 이상으로 정확도가 높았으나 RMSE 571.1g 이하로 낮은 정밀도를 보여 생체중을 정확히 추정하기 어려웠다. 따라서 다른 통계분석방법으로 전 파장과 생육정보를 분석하거나 특정 밴드를 선택하여 산출한 식생지수를 이용한 추정 모델의 개발을 통하여 오차를 개선할 필요가 있다고 사료된다. 추후 반복 실험하여 분석한 추정 모델과 비교 분석하여 다양한 환경 및 생물 조건에 범용성을 가진 모델을 개발할 필요가 있다.

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근적외선 분광분석법을 이용한 낙엽송 목분의 함수율 예측 모델 개발 (Development of Moisture Content Prediction Model for Larix kaempferi Sawdust Using Near Infrared Spectroscopy)

  • 장윤성;양상윤;정현우;강규영;최준원;최인규;여환명
    • Journal of the Korean Wood Science and Technology
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    • 제43권3호
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    • pp.304-310
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    • 2015
  • 저장 또는 운송단계에서 목분에 포함된 수분의 부적절한 조절은 생물학적 열화로 인한 품질하락 및 손실을 야기할 수 있기 때문에 목분의 함수율은 정확하게 측정되어야 하고 적절하게 조절되어야 한다. 본 연구에서는 근적외선(파장 대역: 1000-2400 nm) 분광분석법을 적용하여 낙엽송(Larix kaempferi) 목분의 함수율을 측정하고자 하였다. 각 상대습도($25^{\circ}C$, RH 30~99%) 단계별로 조습된 목분의 근적외선 반사스펙트럼을 측정하고, 적정 수학적 전처리(smoothing, standard normal variate)와 부분최소자승법을 적용하여 예측모델을 개발하였다. 도출된 함수율 예측모델은 높은 신뢰도를 보였다($R^2$ = 0.94, RMSEP = 1.544). 본 연구에서 개발된 근적외선 분광분석법을 통하여 비파괴적이면서 정확하고 신속한 목분 함수율의 측정과 효율적인 목재이용을 견인할 수 있으리라 기대된다.

닥나무 인피섬유와 한지의 원산지 판별모델 개발을 위한 NIR 및 MIR 스펙트럼 데이터의 PLS-DA 적용 (Discrimination model for cultivation origin of paper mulberry bast fiber and Hanji based on NIR and MIR spectral data combined with PLS-DA)

  • 장경주;정소윤;고인희;정선화
    • 분석과학
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    • 제32권1호
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    • pp.7-16
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    • 2019
  • 본 연구에서는 닥나무 인피섬유와 이를 이용하여 제조한 한지의 FT-NIR및 FT-MIR 스펙트럼 데이터를 각각PLS-DA에 적용하여 닥나무 인피섬유 및 한지의 원산지 판별 모델을 개발하고자 하였다. 본 연구를 위하여 서로 다른 원산지의 국내산 닥나무 인피섬유 10점을 채취하여 한지로 제조하였다. 상기시료의 FT-NIR 및 FT-IR 스펙트럼 데이터는 데이터 전처리 과정을 거쳐 PLS-DA를 수행하였다. 모델링 결과, 닥나무 인피섬유와 한지의 NIR 스펙트럼 데이터가 판별모델의 교차 검증결과 및 성능평가(정확도, 민감도, 특이도)에서 모두 100 %로 MIR 스펙트럼 데이터보다 우수한 판별 성능을 나타냈다. 또한 지역별로 4 개의 그룹을 형성하는 것을 확인 할 수 있었으며, 닥나무 인피섬유와 한지의 원산지 판별 모델 간 score 형태가 유사하게 나타내는 것을 확인하였다.

DETERMINATION OF MOISTURE AND NITROGEN ON UNDRIED FORAGES BY NEAR INFRARED REFLECTANCE SPECTROSCOPY(NIRS)

  • Cozzolino, D.;Labandera, M.;Inia La Estanzuela
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1620-1620
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    • 2001
  • Forages, both grazed and conserved, provide the basis of ruminant production systems throughout the world. More than 90 per cent of the feed energy consumed by herbivorous animals world - wide were provided by forages. With such world - wide dependence on forages, the economic and nutritional necessity of been able to characterize them in a meaningful way is vital. The characterization of forages for productive animals is becoming important for several reasons. Relative to conventional laboratory procedures, Near Infrared Reflectance Spectroscopy (NIRS) offers advantages of simplicity, speed, reduced chemical waste, and more cost-effective prediction of product functionality. NIR spectroscopy represents a radical departure from conventional analytical methods, in that entire sample of forage is characterized in terms of its absorption properties in the near infrared region, rather than separate subsamples being treated with various chemicals to isolate specific components. This forces the analyst to abandon his/her traditional narrow focus on the sample (one analyte at a time) and to take a broader view of the relationship between components within the sample and between the sample and the population from which it comes. forage is usually analysed by NIRS in dry and ground presentation. Initial success of NIRS analysis of coarse forages suggest a need to better understand the potential for analysis of minimally processed samples. Preparation costs and possible compositional alterations could be reduced by samples presented to the instrument in undried and unground conditions. NIRS has gained widespread acceptance for the analysis of forage quality constituents on dry material, however little attention has been given to the use of NIRS for chemical determinations on undried and unground forages. Relatively few works reported the use of NIRS to determine quality parameters on undried materials, most of them on both grass and corn silage. Only two works have been found on the determination of quality parameters on fresh forages. The objectives of this paper were (1) to evaluate the use of NIRS for determination of nitrogen and moisture on undried and unground forage samples and (2) to explore two mathematical treatments and two NIR regions to predict chemical parameters on fresh forage. Four hundred forage samples (n: 400) were analysed in a NIRS 6500 instrument (NIR Systems, PA, USA) in reflectance mode. Two mathematical treatments were applied: 1,4,4,1 and 2,5,5,2. Predictive equations were developed using modified partial least squares (MPLS) with internal cross - validation. Coefficient of determination in calibration (${R^2}_{CAL}$) and standard error in cross-validation (SECV) for moisture were 0.92 (12.4) and 0.92 (12.4) for 1,4,4,1 and 2,5,5,2 respectively, on g $kg^{-1}$ dry weight. For crude protein NIRS calibration statistics yield a (${R^2}_{CAL}$) and (SECV) of 0.85 (19.8) and 0.85 (19.6) for 1,4,4,1 and 2,5,5,2 respectively, on a dry weight. It was concluded that NIRS is a suitable method to predict moisture and nitrogen on fresh forage without samples preparation.

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The Use of Near Infrared Reflectance Spectroscopy (NIRS) for Broiler Carcass Analysis

  • Hsu, Hua;Zuidhof, Martin J.;Recinos-Diaz, Guillermo;Wang, Zhiquan
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1510-1510
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    • 2001
  • NIRS uses reflectance signals resulting from bending and stretching vibrations in chemical bonds between carbon, nitrogen, hydrogen, sulfur and oxygen. These reflectance signals are used to measure the concentration of major chemical composition and other descriptors of homogenized and freeze-dried whole broiler carcasses. Six strains of chicken were analyzed and the NIRS model predictions compared to reference data. The results of this comparison indicate that NIRS is a rapid tool for predicting dry matter (DM), fat, crude protein (CP) and ash content in the broiler carcass. Males and females of six commercial strain crosses of broiler chicken (Gallus domesticus) were used in this study (6$\times$2 factorial design). Each strain was grown to 16 weeks of age, and duplicate serial samples were taken for body composition analysis. Each whole carcass was pressure-cooked, homogenized, and a representative sample was freeze-dried. Body composition determined as follows: DM by oven dried method at 105$^{\circ}C$ for 3 hours, fat by Mojonnier diethyl ether extraction, CP by measuring nitrogen content using an auto-analyzer with Kjeldhal digest and ash by combustion in a muffle furnace for 24 hour at 55$0^{\circ}C$. These homogenized and freeze-dried carcass samples were then scanned with a Foss NIR Systems 6500 visible-NIR spectrophotometer (400-2500nm) (Foss NIR Systems, Silver Spring, MD., US) using Infra-Soft-International, ISI, WinISl software (ISI, Port Matilda, US). The NIRS spectra were analyzed using principal component (PC) analysis. This data was corrected for scatter using standard normal “Variate” and “Detrend” technique. The accuracy of the NIRS calibration equations developed using Partial Least Squares (PLS) for predicting major chemical composition and carcass descriptors- such as body mass (BM), bird dry matter and moisture content was tested using cross validation. Discrimination analysis was also used for sex and strain identification. According to Dr John Shenk, the creator of the ISI software, the calibration equations with the correlation coefficient, $R^2$, between reference data and NIRS predicted results of above 0.90 is excellent and between 0.70 to 0.89 is a good quantifying guideline. The excellent calibration equations for DM ($R^2$= 0.99), fat (0.98) and CP (0.92) and a good quantifying guideline equation for ash (0.80) were developed in this study. The results of cross validation statistics for carcass descriptors, body composition using reference methods, inter-correlation between carcass descriptors and NIRS calibration, and the results of discrimination analysis for sex and strain identification will also be presented in the poster. The NIRS predicted daily gain and calculated daily gain from this experiment, and true daily gain (using data from another experiment with closely related broiler chicken from each of the six strains) will also be discussed in the paper.

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근적외선분광법을 이용한 사료용 벼의 사료가치 평가 (Evaluation of Feed Values for Whole Crop Rice Using Near Infrared Reflectance Spectroscopy)

  • 김지혜;이기원;오미래;박형수
    • 한국초지조사료학회지
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    • 제39권4호
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    • pp.292-297
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    • 2019
  • 본 연구는 국내산 사료용 벼를 수집하여 근적외선분광법을 이용한 신속한 품질평가를 위하여 2018년 조사료 품질분석 기관의뢰 된 시료 564점을 수집하여 품질평가 NIR-DB를 구축하고 구축된 DB를 바탕으로 최적의 품질평가 검량식을 개발하고 검증하였다. 각 성분별로 예측 정확성을 평가하기 위해 스펙트라를 측정한 값과 실험실 분석값 간의 상관관계를 이용한 다변량분석법을 이용하였다. 사료용 벼의 수분함량 평가에 대한 예측능력은 각각 SEC 1.66% (R2=0.99)와 SECV 1.81% (R2=0.98)로 나타나 사료가치 평가 성분 중 가장 우수한 예측 능력을 보였으며, CP 함량 각각 SEC 0.42% (R2=0.93)와 SECV 0.50% (R2=0.89)로 나타났다. ADF와 NDF 함량의 예측능력은 각각 SEC 1.25% (R2=0.84), SECV 1.42% (R2=0.79) 및 SEC 1.61% (R2=0.90), SECV 1.79%(R2=0.86)로 나타났다. 사료용 벼의 품질 등급인 RFV의 예측 능력은 SEC 4.67% (R2=0.88), SECV 5.21% (R2=0.84)로 나타났다. 이상의 결과를 종합해보면 근적외선분광법을 이용하여 국내산 사료용 벼의 수분함량과 각종 영양성분을 적은 오차범위에서 분석·평가가 가능하였다.