饲料校准从实验室转移到便携式近红外光谱仪

IF 1.6 4区 化学 Q3 CHEMISTRY, APPLIED
Xueping Yang, JH Cherney, M. Casler, P. Berzaghi
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引用次数: 0

摘要

便携式近红外(NIR)光谱仪现在在市场上很容易买到,其体积更小,重量更轻,成本更低,为在农场和直接在田间分析牧草提供了机会。随着新技术和新型便携式近红外仪器在市场上的出现,由于收集参考数据所需的成本和时间,这些仪器的校准成为一个主要制约因素。本研究评估了将扫描台式单色仪(FOSS 6500, 400-2498 nm, LAB)对苜蓿和草料样品的校准转移到二极管阵列仪器(AuroraNir, 950-1650 nm, DA)、数字光处理仪器(NIR-S-G1, 950-1650 nm, DLP)和短波长仪器(SCiO, 740-1070 nm, SCiO)的技术。采用湿化学方法对8个农艺研究的苜蓿(N = 612)和草(N = 516)样品进行粗蛋白质、中性洗涤纤维(NDF)、酸性洗涤纤维(ADF)、体外消化率(IVTD)和NDF消化率(NDFD)的分析,并将其分为校准、测试集、标准化和接种/预测数据集。评估了不同的校准转移策略:光谱偏差校正(SBC)、Shenk和Westerhaus算法(SW)、分段直接标准化(PDS)、动态正交投影(DOP)或使用接种/预测数据集的LAB预测作为参考值创建新的校准。所有的修边、校准、验证和标准化计算均使用r进行。接种SBC法是转移DA校准的有效方法。对于紫花苜蓿数据,DA转移校准的验证误差比LAB低约15%,但对于草数据则高出6%。对于经DOP谱调整后的SCIO,两组数据的预测误差均略大于LAB,而接种后DLP的预测误差也比LAB大2 ~ 3倍。PDS在所有三种便携式设备的光谱中创建了光谱伪影,这导致了很大的验证误差。LAB预测仅适用于DA, DLP和DA预测误差较大。这项研究表明,台式和便携式仪器之间的校准共享是具有挑战性的,但取决于便携式技术和转移方法是可能的。光谱偏差校正加接种是将多变量模型从实验室转移到手持设备的最佳方法,特别是对于数据分析。DOP的应用有利于SCIO成功保持原始校准的性能,而DLP的预测模型则不准确。需要进一步的研究来验证这些转移技术也可以应用于新鲜牧草,从而更容易和更广泛地直接在田间实施近红外分析。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Forage calibration transfer from laboratory to portable near infrared spectrometers
Portable near infrared (NIR) spectrometers are now readily available on the market and with their smaller size, weight and cost have provided the opportunity to analyze forages both on farms and directly in the field. As new technologies and new portable NIR instruments become available on the market, calibrations for these instruments become a major constraint due to the costs and time necessary to collect reference data. This study evaluated techniques to transfer calibrations for alfalfa and grass forage samples that were developed for a scanning benchtop monochromator (FOSS 6500, 400–2498 nm, LAB) to a diode array instrument (AuroraNir, 950–1650 nm, DA), a digital light processing instrument (NIR-S-G1, 950–1650 nm, DLP) and a short wavelength instrument (SCiO, 740–1070 nm, SCIO). Alfalfa (N = 612) and grass (N = 516) samples from eight agronomic studies were analyzed by wet chemistry for crude protein, neutral detergent fiber (NDF), acid detergent fiber (ADF), in-vitro digestibility (IVTD) and NDF digestibility (NDFD) and divided into calibration, test-set, standardization and inoculation/prediction datasets. Different calibration transfer strategies were evaluated: Spectral Bias Correction (SBC), Shenk and Westerhaus algorithm (SW), Piecewise Direct Standardization (PDS), Dynamic Orthogonal Projection (DOP) or creating a new calibration using LAB predictions of the inoculation/prediction dataset as reference values. All computations for trimming, calibration, validation and standardization were developed using R. SBC with inoculation was an effective method to transfer calibrations for DA. Validation errors for DA transferred calibrations were about 15% lower than LAB for alfalfa data but 6% greater for grass data. For SCIO after DOP spectral adjustment, predicting errors were slightly greater than LAB for both data sets, while prediction errors with DLP were two to three times greater than LAB even after inoculation. PDS created spectral artifacts in the spectra of all three portables, which then resulted in large validation errors. Using LAB predictions as reference values was suitable only for DA, while DLP and DA had large prediction errors. This study showed that calibration sharing between a benchtop and portable instruments is challenging, but possible depending on the portable technologies and the transfer method. Spectral bias correction plus inoculation was the best method to transfer multivariate models for the forage components’ prediction from LAB to handhelds, particularly for DA. Application of DOP was beneficial for SCIO to successfully maintain performance of the original calibration, while for DLP the prediction models were not accurate. Additional studies are necessary to verify these transferring techniques can also be applied to fresh forages, allowing an easier and extended implementation of NIR analysis directly in fields.
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来源期刊
CiteScore
3.30
自引率
5.60%
发文量
35
审稿时长
6 months
期刊介绍: JNIRS — Journal of Near Infrared Spectroscopy is a peer reviewed journal, publishing original research papers, short communications, review articles and letters concerned with near infrared spectroscopy and technology, its application, new instrumentation and the use of chemometric and data handling techniques within NIR.
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