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68 protocols using unscrambler x 10

1

Hyperspectral Image Analysis for Spectral Data

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The calibrated hyperspectral images were then imported to the Environment for Visualizing Images (ENVI) software (ITT Visual Information Solutions, Boulder, USA) for image analysis. The size 135 × 150 pixel at the center of an image was chosen by the region of interest (ROI) tool. The reflectance spectra curve of pixels extracted from ROI regions were averaged to represent each sample.
For the purpose of eliminating noise of the spectral data and improve the predictive ability of samples, the preprocessing methods of Savitzky-Golay smoothing was used. The spectral data were calculated and processed by Unscrambler X 10.1 (CAMO Software, Norway). The preprocessed spectral data were used to establish FW-PLSDA, CARS-PLSDA and RC-LDA respectively.
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2

Multivariate Analysis of Phytochemicals

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The experimental results were analyzed using principal component analysis (PCA) with full cross-validation. PCA constitutes the most basic statistical method of all multivariate data analysis, and involves decomposing one “data matrix” into a structural part (model) and a “noise” part (error). The main purpose of all multivariate data analyses is to decompose the data in order to detect and model “hidden phenomena”. PCA was assessed using the Unscrambler X 10.1 software version from CAMO Software AS (Oslo, Norway). PCA was used to evaluate the experimental results for pyruvic acid, thiosulfinate concentrations, and antioxidant activity for all the studied plant species.
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3

Spectral Data Pretreatment for Quantitative Models

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In order to compare and obtain robust and reliable performance, spectral data pretreatment is necessary prior to the development of quantitative models. In this research, a series of pretreatments including normalization, standard normal variate (SNV), multiplicative signal correction (MSC), detrending (detrend), first-order derivative, and second-order derivative (1st and 2nd derivative) were applied in addition to non-preprocessed spectra. Multiplicative interferences of scatter in the spectra can be effectively removed using SNV approach. MSC is a method like SNV which is effectively used in multiplicative variations elimination. Derivatives were usually used to remove baseline offsets and separate overlapping absorption bands. In this research, derivatives were calculated using second-order polynomial with Savitzky–Golay smoothing by a moving window size of 15 points. Detrending was implemented combined with SNV to suppress the baseline shifting and curvilinearity. Normalization was utilized to present the spectral differences caused by slight optical path variations. The pretreatment or the combinations were all implemented in the Unscrambler X 10.1 (Camo Software Inc., Trondheim, Norway).
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4

Spectral Data Preprocessing for HSI

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In HSI, because of instrumental interference and environmental factors, noise signals appear in the original spectra. Preprocessing is crucial for eliminating unnecessary information that may complicate model establishment. In the present study, the regional data matrices were preprocessed using standard normal variate (SNV) transformation, the most widely used method for preprocessing spectral data (Dong et al., 2018 (link)). In this study, spectral data preprocessing was performed using Unscrambler x10.1 (Camo Software, Oslo, Norway).
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5

Analyzing Aquatic Ecosystem Characteristics

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To investigate significant differences between the sampling sites and periods with respect to the physical and chemical characteristics of the samples, such as particle size, surface and bottom water DO concentrations and temperature, pore-water TDN, DON, sediment TOC, residence time, and precipitation, one-way analysis of variance (ANOVA) with Tukey’s test (equal variance) or Dunnett’s T3 test (unequal variance) for post-hoc analysis was conducted (IBM SPSS Statistics, IBM, New York, NY, USA) [49 (link)]. A linear regression analysis of the relationship between the DOM properties and environmental factors was performed (Sigmaplot 10.0, Systat Software, San Jose, CA, USA). A principal component analysis (PCA) was also conducted to illustrate the association of DOC and the optical properties of DOM and environmental factors using Unscrambler X 10.1 (CAMO Software, Oslo, Norway) [50 (link)].
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6

Multivariate Analysis of Plant Spectral Data

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A multivariate statistical analysis of the spectral curves (hyperspectral reflectance, chlorophyll a fluorescence kinetics, and total parameter measure) by principal component analysis (PCA) was performed using the Unscrambler X 10.4® software (Camo Software, Oslo, NOR). The degree of explanation was attributed using the first two components (PC1 and PC2) prior to obtaining Fisher’s discriminant linear models. In addition, Leverage’s correction and NIPALS’s model were used to validate the residual variance. Principal component analysis graphics were obtained via a script that identified green, yellow, orange, and purple clusters (p < 0.90).
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7

Analytical Protocol for MCC/IMS Data

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The generated MCC/IMS data were evaluated with the software VisualNow 3.7 (B&S Analytik GmbH, Dortmund, Germany). All peaks were characterized by their specific combination of retention time per second and drift time (corresponding 1/K0-value). The peak height is correlated to the concentration (32 (link)). The databank layer 20160426_SubstanzDbNIST_122_St_layer (B&S Analytik GmbH, 2016) was used for peak referencing and determination of retention times and 1/K0-values. Box-and-Whisker plots and a rank sum test (Wilcoxon-Mann-Whitney test using Bonferroni correction) were used. Significant peaks [p < 0.05, 95% confidential interval (CI)] were used for further evaluation with decision trees (DT) (33 (link), 34 (link)) using RapidMiner Studio Free 8.2.001 (RapidMiner GmbH, Dortmund, Germany) and principal component analysis (PCA) (35 (link), 36 (link)) using Unscrambler X 10.4 (CAMO Software AS, Oslo, Norway).
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8

Multivariate Analysis of Spectral Data

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PCA was performed to reduce the dimensionality of the data set and also to determine spectral outliers by using F-residual and Hotelling-T2 values. The spectral data set was randomized and mean centred before the analysis. Three segment cross-validation was used to validate the model (Diana & Tommasi, 2002 (link)). Data analysis (plotting, set up, etc.) was done using Unscrambler X 10.4 (CAMO Software, Oslo, Norway).
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9

Multivariate Curve Resolution of IR Spectra

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Multivariate curve resolution (MCR) of the IR spectra was performed using the Unscrambler® X 10.4 software package (CAMO Software AS, Oslo, Norway). The spectral region from 1670 to 700 cm−1 was analyzed. The normalized (unit vector normalization) spectra were used for further chemometric analysis. During this study, for MCR procedures, non-negativity and closure were applied as constraints. No prior assumptions (e.g., pure component spectra) were made.
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10

Multivariate Analysis of GC-MS Data

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GC-MS data were submitted to multivariate statistical analysis using Unscrambler ®X 10.4 (CAMO Software, Oslo, Norway). Data were submitted to Pareto scaling prior to unsupervised principal component analysis (PCA), that was used to identify the compounds more correlated with wine aging.
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