Spectral data fusion for quantitative assessment of soils from Brazil

Similar documents
Performance of spectrometers to estimate soil properties

INTERNATIONAL JOURNAL OF PURE AND APPLIED RESEARCH IN ENGINEERING AND TECHNOLOGY

Radiant energy is proportional to its frequency (cycles/s = Hz) as a wave (Amplitude is its height) Different types are classified by frequency or

Infrared Spectroscopy

Infrared Spectroscopy

PREDICTION OF SOIL ORGANIC CARBON CONTENT BY SPECTROSCOPY AT EUROPEAN SCALE USING A LOCAL PARTIAL LEAST SQUARE REGRESSION APPROACH

GLOBAL SYMPOSIUM ON SOIL ORGANIC CARBON, Rome, Italy, March 2017

Lecture 11. IR Theory. Next Class: Lecture Problem 4 due Thin-Layer Chromatography

Advanced Pharmaceutical Analysis

Infrared spectroscopy. Siriphorn Laomanacharoen Bureau of Drug and Narcotic Department of Medical Sciences 2 March 2012

Soil Colloidal Chemistry. Compiled and Edited by Dr. Syed Ismail, Marthwada Agril. University Parbhani,MS, India

EXPT. 7 CHARACTERISATION OF FUNCTIONAL GROUPS USING IR SPECTROSCOPY

Table 8.2 Detailed Table of Characteristic Infrared Absorption Frequencies

Application of near-infrared (NIR) spectroscopy to sensor based sorting of an epithermal Au-Ag ore

Application of IR Raman Spectroscopy

Lecture 14: Cation Exchange and Surface Charging

We are IntechOpen, the world s leading publisher of Open Access books Built by scientists, for scientists. International authors and editors

6. CHARACTERIZATION OF AS (III) IONS BIOSORPTION BY THE LIVE, HEAT AND ALKALINE- TREATED FUNGAL BIOMASS ON THE BASICS OF SURFACE STUDIES

Lecture 15: Adsorption; Soil Acidity

Introduction. The analysis of the outcome of a reaction requires that we know the full structure of the products as well as the reactants

Infrared spectroscopy Basic theory

Learning Guide for Chapter 3 - Infrared Spectroscopy

General Infrared Absorption Ranges of Various Functional Groups

Handheld FTIR spectroscopy applications using the Agilent ExoScan 4100 FTIR with diffuse sample interface

Infrared Spectroscopy: Identification of Unknown Substances

Química Orgânica I. Ciências Farmacêuticas Bioquímica Química. IR spectroscopy AFB QO I 2007/08 1 AFB QO I 2007/08 2

ORGANIC - BROWN 8E CH INFRARED SPECTROSCOPY.

Symmetric Stretch: allows molecule to move through space

C h a p t e r F o u r t e e n: Structure Determination: Mass Spectrometry and Infrared Spectroscopy

Look for absorption bands in decreasing order of importance:

Infrared Spectroscopy An Instrumental Method for Detecting Functional Groups

SPECTROSCOPY MEASURES THE INTERACTION BETWEEN LIGHT AND MATTER

Chapter 12 Mass Spectrometry and Infrared Spectroscopy

Spectroscopy: The Study of Squiggly Lines. Reflectance spectroscopy: light absorbed at specific wavelengths corresponding to energy level transi8ons

(2) Read each statement carefully and pick the one that is incorrect in its information.

Spectroscopic techniques: why, when, where,and how Dr. Roberto GIANGIACOMO

More information can be found in Chapter 12 in your textbook for CHEM 3750/ 3770 and on pages in your laboratory manual.

Infrared Spectroscopy

Topic 2.11 ANALYTICAL TECHNIQUES. High Resolution Mass Spectrometry Infra-red Spectroscopy

Yin and yang in chemistry education: the complementary nature of FTIR and NMR spectroscopies

Learning Guide for Chapter 3 - Infrared Spectroscopy

Structure Determination. How to determine what compound that you have? One way to determine compound is to get an elemental analysis

Probing Bonding Using Infrared Spectroscopy Chem

NIR Spectroscopy Identification of Persimmon Varieties Based on PCA-SVM

Satellite ASTER Global Geoscience Maps

Natural Resources and Environmental Management Department, University of Hawai i Mānoa, 1910 East-West Road, Sherman 101, Honolulu, HI 96822, USA 2

Reference Standards Page 156 For calibrating your spectrometer. PIKECalc Page 159 For FTIR sampling computations

Lecture 6. Physical Properties. Solid Phase. Particle Composition

Chemistry 2. Assumed knowledge

Fourier Transform Infrared Spectroscopy of Metal Ligand Complexes *

Applicability of Near-Infrared (NIR) spectroscopy for sensor based sorting of a porphyry copper ore.

What happens when light falls on a material? Transmission Reflection Absorption Luminescence. Elastic Scattering Inelastic Scattering

Increasing energy. ( 10 4 cm -1 ) ( 10 2 cm -1 )

Infrared Spectroscopy

DEMATTE José Alexandre Melo (1), COOPER Miguel (2), MAULE Rodrigo Fernando (2), FIORIO Peterson Ricardo (2)

Estimation of Wavelet Based Spatially Enhanced Evapotranspiration Using Energy Balance Approach

Soil impact on metal detector performance and soil characterisation maps

Types of Molecular Vibrations

William H. Brown & Christopher S. Foote

Molecular Spectroscopy In The Study of Wood & Biomass

Putting Near-Infrared Spectroscopy (NIR) in the spotlight. 13. May 2006

Frame Transfer or Interline CCDs. Can take new image during readout, but waste half the array on shielded (inac?ve) pixels

IR Spectrography - Absorption. Raman Spectrography - Scattering. n 0 n M - Raman n 0 - Rayleigh

Fast Detection of Inorganic Phosphorus Fractions and their Phosphorus Contents in Soil Based on Near-Infrared Spectroscopy

Second EARSeL Workshop on Imaging Spectroscopy, Enschede, 2000

Lecture 8. Assumed knowledge

Automatic Gamma-Ray Equipment for Multiple Soil Physical Properties Measurements

1 Which of the following cannot be used to detect alcohol in a breathalyser test? Fractional distillation. Fuel cell. Infrared spectroscopy

CHEM 3.2 (AS91388) 3 credits. Demonstrate understanding of spectroscopic data in chemistry

2. Infrared spectroscopy

Infrared spectroscopy

SOIL CLASSIFICATION VIA MID-INFRARED SPECTROSCOPY

Nanoscale IR spectroscopy of organic contaminants

Geoderma 150 (2009) Contents lists available at ScienceDirect. Geoderma. journal homepage:

Spectroscopy in Inorganic Chemistry. Vibration and Rotation Spectroscopy

Use of Near Infrared Spectroscopy to Determine Chemical Properties of Forest Soils. M. Chodak 1, F. Beese 2

Infra-red Spectroscopy

Classification according to patent rock material/origin, soil distribution and orders

Chapter 3. Infrared Reflectance Spectra of Tholins

CHEM 3760 Orgo I, S12, Exp 5 (Lab #6) (TECH 710: IR Unknown)

Educational experiment package Volume 1. Molecular spectroscopy

February 8, 2018 Chemistry 328N

Online NIR-Spectroscopy for the Live Monitoring of Hydrocarbon Index (HI) in Contaminated Soil Material

ORGANIC - BRUICE 8E CH MASS SPECT AND INFRARED SPECTROSCOPY

Determining the Structure of an Organic Compound

Monument Valley, Utah. What weathering processes contributed to the development of these remarkable rock formations? Weathering Mechanisms

FIRST PROOF FOURIER TRANSFORM INFRARED SPECTROSCOPY. Article Number: SOIL: Infrared Peaks of Interest. Introduction

Scientific report STSM COST FP1006

Fourier transform infrared spectroscopy (FTIR) is a method used to obtain an infrared

Scanning Electron Microscopy (SEM) with Energy Dispersive Spectroscopy (EDS) Analysis The samples were also characterized by scanning electron

Preliminary Information about the Site

INFRARED SPECTROSCOPY

Welcome to Organic Chemistry II

ANALYSIS OF LARGE SCALE SOIL SPECTRAL LIBRARIES

Creation of hyper spectral library and lithological discrimination of granite rocks using SVCHR -1024: lab based approach

Vibrations. Matti Hotokka

Electronic Supplementary Information

EXPT. 9 DETERMINATION OF THE STRUCTURE OF AN ORGANIC COMPOUND USING UV, IR, NMR AND MASS SPECTRA

Infrared Spectroscopy used to analyze the presence of functional groups (bond types) in organic molecules How IR spectroscopy works:

Tikrit University. College of Engineering Civil engineering Department SOIL PROPERTES. Soil Mechanics. 3 rd Class Lecture notes Up Copyrights 2016

Transcription:

International Workshop Soil Spectroscopy: the present and future of Soil Monitoring FAO HQ, Rome, Italy, 4-6 December 2013 Spectral data fusion for quantitative assessment of soils from Brazil Dr. Fabrício da Silva Terra Dr. José Alexandre Melo Demattê Dr. Raphael Viscarra Rossel

Introduction: Brazil has territorial area 8,514,887 km 2 Brief overview of Brazilian soil mapping : Mapping at: 1:750,000 to 1:2,500,000 75.6 % 1:100,000 to 1:750,000 17.1 % 1:100,000 and 1:20,000 only 0.25% (semi-detailed and detailed) Santos and Santos (2007)

Introduction: Expansion and intensification of agriculture, and the growing environmental concern... Necessity of soil monitoring For this # Soil maps with scales suitable for our purposes.... in other words: We need to expand those 0.25 % (semi and detailed soil mapping) And to do this... - Lots of field work, soil surveys, soil sampling and analyses are needed: expensive, time consuming and wasteful

Introduction: In this sense Soil Reflectance Spectroscopy): efficient alternative in evaluating soils and their attributes. What is the most appropriate spectral range in quantitative assessment? Can spectral fusion increase predictive efficiency? Vis: 350-700 nm NIR: 700-2500 nm MidIR: 2500-25000 nm

Aims: - To compare the predictions of clay content (CC), soil organic carbon (SOC) and sum of bases (SB = Ca 2+ + Mg 2+ + K + ) based on individual and combined spectral ranges from visible to nearinfrared (VisNIR: 350 to 2500 nm) e from mid-infrared (MIR: 4000 to 400 cm -1 )

Soil database - 1259 soil samples ( horizons from 396 soil profiles); Soil classes (FAO WRB) Leptosols Ferralsols Nitisols Gleysols Cambisols Lixisols Acrisols Alisols Planosols Arenosols 361 samples 74 samples 219 samples 605 samples

Reflectance Spectroscopy Mid-IR (4000 to 400 cm -1 ): soil < 200 µm - Equipment: Thermo Nicolet 6700 FTIR - Accessory: Smart Diffuse Reflectance - Acquiring: resolution of 1.2 nm average of 64 scans/min - Calibration: diffuse gold plate every 1 sample VisNIR (350 to 2500 nm): soil < 2 mm - Equipment: FieldSpec Pro - Acquiring: resolution of 1 nm average of 100 scans - Calibration: barium sulfate plate every 20 samples

Methodology: RPD classification: Chang et al. (2001) RPIQ: Bellon-Maurel et al. (2010)

Methodology: Outer Product Analysis (OPA): data fusion - To emphasise co-evolutions of different spectral regions in the same domain; Adapted from Jaillais et al. (2009)

Soil spectral behaviour (Absorption) 488 and 903 nm: - Fe oxide and hydroxide (hematite and goethite) 1414 nm: - Clay minerals (1:1 / 2:1) (kaollinite, montmorilonite, illite) - Hydroxyl (water molecules) 1917 nm: - Hydroxyl (water molecules) 2205 nm: - Clay minerals (1:1 / 2:1) (kaollinite, montmorilonite, illite) 2251 nm: - Al hydroxide (gibbsite) 2314 nm: - Carbonates and organic compound (methyl) 2355 and 2448 nm: 2:1 clay mineral (illite) 2382 nm: Carbohydrates 3605 to 3394 cm -1 : - Clay minerals (1:1 / 2:1) (kaolinite, montmorilonite, illite) - Al hydroxide (gibbsite) 2233 to 1975 cm -1 : Organic compounds (alkyne groups) Quartzo 1867 to 1362 cm -1 : - Quartzo - Clay minerals (1:1 / 2:1) (kaolinite, montmorilonite, ilite, vermiculite) - Fe oxide and hydroxide (hematite and goethite) - Organic compounds (amide, aromatic, alyphatic, phenolic) 1157 to 926 cm -1 : - Organic compounds (alyphatic, polysaccharide) - Quartzo - Fe oxide (hematite) - Al hydroxide (gibbsite) - Clay minerals (1:1 / 2:1) 814 to 436 cm -1 : - Quartzo - Fe oxide and hydroxide (hematite and goethite) - Al hydroxide (gibbsite)

Co-evolution between spectral ranges: Fundamental vibrations (stretching an bending) Overtones and combination tones Folded: matrix representation X-H stretching triple bond double bond fingerprint Unfolded Combination tone 1 overtone 2 overtone 3 overtone Electronic transitions

Soil property normalization Before After

Correlation: Interactions - attributes vs spectral behavior - MIR generally higher

Prediction performances: Mean comparison CC varied from 10 g kg -1 to 930 g kg -1 SOC from 1.2 g kg -1 to 41 g kg -1 SB from 2.1 mmol c kg -1 to 290.5 mmol c kg -1. Clay content (CC) Range Features DP 1Q 3Q R 2 RMSE RPD RPIQ OPA 8178 250.06 220.00 710.00 0.91a 75.70a 3.30a 6.43a Mid-IR 934 251.80 220.00 710.00 0.90a 78.70a 3.20a 6.23a VisNIR 2151 251.28 220.00 720.00 0.84a 102.00b 2.46b 4.90b Soil organic carbon (SOC): Log10 (normalization) Range Features DP 1Q 3Q R 2 RMSE RPD RPIQ OPA 8178 0.27 (1.86) 0.67 (4.68) 1.06 (11.48) 0.70a 0.15a (1.41) 1.80a 2.60a Mid-IR 934 0.27 (1.86) 0.67 (4.68) 1.08 (12.02) 0.69b 0.15a (1.41) 1.80a 2.73a VisNIR 2151 0.27 (1.86) 0.67 (4.68) 1.06 (11.48) 0.64c 0.16b (1.44) 1.69b 2.44b Sum of bases (SB): Log10 (normalization) Range Features DP 1Q 3Q R 2 RMSE RPD RPIQ OPA 8178 0.41 (2.57) 0.83 (6.76) 1.48 (30.20) 0.54b 0.28b (1.90) 1.46b 2.32b Mid-IR 934 0.41 (2.57) 0.83 (6.76) 1.48 (30.20) 0.60a 0.26a (1.82) 1.58a 2.50a VisNIR 2151 0.42 (2.63) 0.78 (6.02) 1.47 (29.51) 0.39c 0.33c (2.14) 1.27c 2.09c

MIR validation set 395 samples Atributte Normalização Algoritmo R 2 RMSE RPD RPIQ P Logaritmo / base 10 SVM (Linear) 0,36 0,35 1,26 1,71 K Logaritmo / base 10 SVM (Radial) 0,21 0,45 1,13 1,33 Ca Logaritmo / base 10 SVM (Linear) 0,71 0,25 1,84 2,80 Mg Logaritmo / base 10 SVM (Radial) 0,54 0,28 1,46 1,93 Al Raiz quadrada SVM (Linear) 0,81 0,75 2,28 3,77 H+Al Raiz quadrada SVM (Linear) 0,80 0,81 2,23 2,88 V% Raiz quadrada SVM (Linear) 0,76 0,99 2,05 3,24 m% Raiz quadrada SVM (Radial) 0,66 1,93 1,72 3,56 Ativ. Arg. Raiz quadrada SVM (Linear) 0,66 2,14 1,71 1,79 Cu Raiz quadrada SVM (Radial) 0,53 0,69 1,46 2,32 Fe Raiz quadrada SVM (Radial) 0,29 1,84 1,20 1,39

IN practice for soil classification Similar clay Quartz peak Oxisol less clay More clay Ultisols Previous observed by Demattê (2002) Morphology of spectra

Conclusions: Predictions by OPA were better for CC and SOC but the fusion did not bring a considerable increase in the predictive efficiency (despite coevolutions and a large number of spectral features) OPA may not be the best way to combine spectra of the same type Other types of data fusion need to be tested Mid-IR spectra are still the best option to quantitative assessment of soil properties even for tropical soils Both, Mid-IR and Vis-Nir can be used for assistence on soil classification approachbo

Acknowledgments University of São Paulo (USP), Luiz de Queiroz College of Agriculture (ESALQ), Department of Soil Science (LSO) Australian Commonwealth Scientific and Industrial Research Organization (CSIRO) National Council for Scientific and Technological Development (CNPq) Coordination for the Improvement of Higher Education Personnel (CAPES)