近红外定标是基于数学模型,包含光谱和参考值,并且这些数据来源会随着下列因素而发生变化:
naturalbiological substances changes by season, weather,origin (continents, country), pollution, evolution of species, geneticallychanges, related especially to: Food & Feed
自然生物成分随着季节、气候、起源(洲、国家)、污染、物种进化、基因改变而发生变化,尤其涉及到食物和饲料
§ product production processes changeby improvements, process parameters, timing, physical properties, environment,changed raw material variations, different suppliers, related especially to:Pharmacy, Chemistry, Process Analytical Technology (PAT), Quality by Design(QbD)
产品生产过程随着加工参数、时间、物理性质、环境、原材料变化、不同供应商而发生变化,尤其涉及到药剂学、化学、过程分析技术(PAT),质量设计(QbD)
§ sampling process changessample selection, see Theory of Sampling (TOS)
取样过程变化,包括样品选择,见取样原理(TOS)
§ sample preparation changeschopping, grinding, milling, mixing (homogeneous), sieving, numerous effects ofvariable particle sizes, heating/freezing temperature program (ramp, hold),wet, dry, pressure and density, thickness, aging and contamination of samplesbetween NIR and Lab measurement, air-tight transport cell, weight or volume,see NIR Sample Preparation
样品准备过程变化,包括截断、研磨、粉碎、混合(均质)、筛分、颗粒度变化、升温和降温过程、潮湿、干燥、压力和密度、厚度、在近红外与实验室分析时的时效和污染情况、密封实施、重量或体积,见近红外样品准备。
§ sample measurement changesmeasurement cell cleaning, container, glasses, petri glasses, cuvettes, plasticcoverage, auto sampler adjustments and sampling plan, positioning, measurementarea, fixed vs. moving spot, sample temperature, spectral resolution,apodization method (FT-NIR), number of scans, measurement repeats, averagingwith/out outliers
样品检测方式发生变化,包括测量室的清洁、容器、玻璃、培养皿、比色皿、塑料盖、自动进样调整和抽样方案、定位、测量区域、固定、移动、样品温度、光谱分辨率、切趾法(FT-NIR)、扫描频率、重复测量、平均值或离群值。
§ reference method changesdifferent method types, different Labs, refinements
参比方法变化,包括不同类型方法、不同实验室、方法改良。
§ SOP changes QA/QC procedures
SOP变化,包括QA/QC规程
§ instrument / spectrometer changesdrifts by temperature and aging of electronic components, aging and defilement(dirt) of reference substances, wavelength accuracy, signal to noise ratio
仪器/光谱仪发生变化,包括温度变化、电子组件的老化、参比物的老化和污染、波长准确性、信噪比变化。
§ new NIR data iscollected continuously and should be used to extend the calibration, fill thematrix gaps, to increase robustness, and in some cases the older data can befaded out.
不断收集新的近红外数据,用于定标的扩展,补充矩阵间隙,增加定标稳定性,并且在某些情况下可以去除旧的数据。
Because of all these changes, NIR Spectroscopy requires extensiveapplication calibration and validation on an ongoing basis.
由于上述因素发生变化,近红外光谱需要广泛应用定标和持续数据验证
It’slike the weather forecast models, everything is changing and sothe models need to be adjusted. Thankfully for NIR the period is longer thanfor the weather. But there is an interval, that means the models can not be held frozen and constant if the measurementresults should be reliable. NIR require speriodic
像气象预测模型一样,许多因素发生变化,因此模型需要调整。还好有一点,近红外的调整要比天气变化还长。但是近红外具有间隔性,是指即使检测结果比较可靠也不能保持模型固定不变。近红外需要不定期的改变完善。