Magnetic Resonance in Chemistry

Article	Citations
Multinuclear 1H/13C/15N chemical shift assignment of therapeutic octreotide acetate performed at natural abundance	57
The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5‐(CF3)2Pz]Ag}3	23
Structural elucidation and complete NMR spectral assignments of Monascus monacolin analogues	22
Characterization of fatty acid forms using benchtop NMR in omega‐3 oil supplements	20
Compositional analysis of multilayered plastic constituents and constituent mixtures using benchtop 1H NMR spectroscopy	17
Detecting pore size distribution of activated carbon by low‐field nuclear magnetic resonance	16
Quantitative at‐line monitoring of enzymatic hydrolysis using benchtop diffusion nuclear magnetic resonance spectroscopy	15
Determination of base oil content in lubricating greases by NMR	15
Nuclear magnetic resonance/magnetic resonance imaging on lubricating greases: Observation of bleeding and aging	15
NMR Spectroscopic Reference Data of Synthetic Cannabinoids Sold on the Internet	14
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Nuclear Magnetic Resonance Spectroscopic Characterization and Determination of the New Psychoactive Substance Benzylone: Application in a Biological Fluid	13
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Unlocking the Chemical Diversity of Plant Catharanthus roseus: Nuclear Magnetic Resonance Spectroscopy Approach	12
Benchtop nuclear magnetic resonance performance evaluation according to ASTM E691–22 on a population of instruments: Molar substitution determination in hydroxypropyl betadex as a case study for use i	11
Recent advances in the liquid‐phase 6,7Li nuclear magnetic resonance	11
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The NMR added value to the green foodomics perspective: Advances by machine learning to the holistic view on food and nutrition	10
A new amide from the fruiting bodies of Tricholoma bakamatsutake	9
A sulfur‐33 nuclear quadrupole resonance study of 33S2‐labeled L‐cystine	9
Application of 1,1‐ADEQUATE and DFT to correct13C misassignments of carbonyl chemical shifts for carbapenem antibiotics	9
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Effect of the chemical structure of a tetradentate equatorial ligand on the spin‐crossover properties of the Fe (III) complexes chain structures: Electron paramagnetic resonance study	9
Deciphering molecular structures: NMR spectroscopy and quantum mechanical insights of halogenated 4H‐Chromenediones	8
Solid‐state 31P and 109Ag CP/MAS NMR as a powerful tool for studying of silver(I) complexes with N‐thiophosphorylated thiourea and thioamide ligands	8
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Selenate—An internal chemical shift standard for aqueous 77Se NMR spectroscopy	8
Stereochemical assignment of four monoterpene glucoside derivatives from Turpinia montana Kurz by NMR study combined with CD spectroscopy	8
Non‐uniform sampling to enhance the performance of compact NMR for characterizing new psychoactive substances	8
Recent advances in solid‐state nuclear magnetic resonance spectroscopy of quadrupolar nuclei	8
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A supramolecular and liquid crystalline water‐based alignment medium based on azobenzene‐substituted 1,3,5‐benzenetricarboxamides	7
Structural Elucidation and Complete NMR Spectral Assignments of Monascus Monacolin Analogs	6
Validation of temperature‐controlled rheo‐MRI measurements in a submillimeter‐gap Couette geometry	6
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The combination of inorganic phosphate and pyrophosphate 31P‐NMR for the electrodeless pH determination in the 5–12 range	6
Enhancing Forensic Laboratories Through University Collaboration: Obtaining Conclusive Reports and Reference Materials via NMR	6
Overcoming NMR line broadening of nitrogen containing compounds: A simple solution	6
Polarization transfer methods for quantitative analysis of flowing mixtures with benchtop 13C NMR spectroscopy	6
To Gibbs or Not to Gibbs Effect of Entropic Contribution in the NMR Calculations of Flexible and Polar Molecules—Updating the DP4+App	5
Quantitative NMR using water as internal calibrant	5
Nuclear magnetic resonance relaxometry to monitor chromium (VI) reduction by hydrogen peroxide, ascorbic acid, and aluminum powder	5
Structure elucidation of olasubscorpioside C, a new rotameric biflavonoid glycoside from the stem barks of Olax subscorpioidea (Oliv)	5
Deciphering the Conformations of Glutathione Oxidized Peptide: A Comparative NMR Study in Solution and Solid‐State Environments	5
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Magnetic shielding of parahydrogen hyperpolarization experiments for the masses	5
Elucidating structure and dynamics of crystalline α‐zirconium phosphates intercalated with water and methanol by multinuclear solid‐state MAS NMR: A comprehensive NMR approach	5
Recent advances in liquid‐phase NMR of the coal‐derived products	5
Understanding the Interactions of Nanoparticles and Dissolved Organic Matter at the Molecular Level by 1H 2D Multi‐Exponential Transverse Relaxation NMR Spectroscopy	5
NMR internal standard signal shifts due to cyclodextrin inclusion complexes	5
Time domain NMR: An alternative for study of the asphaltenes precipitated in petroleum	5
Revisiting the structure of Heliannuol L: A computational approach	5
Effect of Solvent on the Optical Rotation of Azatryptophan Derivatives	5
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RPA(D) and HRPA(D): Calculating NMR Spin–Spin Coupling Constants in Free Amino Acid Residues	4
Distance measurements to quadrupolar nuclei: Evolution of the rotational echo double resonance technique	4
Structure revision of the aporphine zizyphusine alkaloid from Semen Ziziphi Spinosae	4
CAT on MOUSE: Control and automation of temperature for single‐sided NMR instruments such as NMR‐MOUSE	4
Solid‐State NMR‐Assisted Dynamic Characterization of two Isostructural Solvates of 5α‐Bromo‐6β,19‐Epoxy‐Androstan‐3β,17β‐Diol Diacetate	4
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Triterpenes and limonoids of Cedrela: Distribution, biosynthesis, and 1H and 13C NMR data	4
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Increasing the Orthogonality of 4‐Pyridiniophenols: An NMR Study of Their Solvatomagnetism	4
Contributions towards variable temperature shielding for compact NMR instruments	4
Computational 19F NMR of trifluoromethyl derivatives of alkenes, pyrimidines, and indenes	4
Predicting 51V nuclear magnetic resonance observables in molecular crystals	4
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Application of aromatic amide‐derived atropisomers as chiral solvating agents for discrimination of optically active mandelic acid derivatives in 1H nuclear magnetic resonance spectroscopy	4
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Computational NMR of natural products: On the way to super large molecules exemplified with alasmontamine A	4
Evaluation of alumina slurry dispersion by nuclear magnetic resonance relaxation as a comparison to conventional dispersion evaluation methods	3
Analysis of complex mixtures with benchtop nuclear magnetic resonance: Solvent suppression with T2 and diffusion filters	3
Computational NMR of carbohydrates: 1. Glucopyranoses	3
Full configurational and conformational analysis of artemisinin by one‐bond carbon–carbon residual dipolar couplings at natural abundance	3
PDSFit: PDS data analysis in the presence of orientation selectivity, g‐anisotropy, and exchange coupling	3
An investigation of the role of transition metal ions impurities in CdO: Local structure and electronic properties	3
NMR in forensics	3
NMR spectroscopy study of new imidamide derivatives as nitric oxide synthase inhibitors	3
Signal amplification by reversible exchange (SABRE)	3
Potential of multiparametric characterization of foodstuffs by nuclear magnetic resonance to better predict microbial behavior	3
6aH‐Benzo[α]fluorene: NMR evidence of the unexpected product of the reaction of butyryl chloride with 1,2‐diphenylacetylene	3
Application of accelerated heteronuclear single quantum coherence experiments to the rapid quantification of monosaccharides and disaccharides in dairy products	3
Synthesis and characterization of novel conformers of (E)‐2‐(3‐nitro‐H‐imidazo[1,2‐a]pyridin‐2‐ylthio)‐N′‐benzylideneacetohydrazide derivatives	3
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Structural elucidation of lactone derivatives from Dendrobium pendulum	3
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The rise of the machines in chemistry	3
Five new seco‐labdane‐type diterpenoids from Caesalpinia latisiliqua	3
NMR spectroscopic discrimination of the enantiomer pairs of soman and bispinacolyl‐methylphosphonate and detailed analysis of the pinacolyl group 1H NMR resonances	3
Stereochemical assignment of three new benzylisoquinoline alkaloids from Phaeanthus vietnamensis by NMR study combined with CD spectroscopy	3
Determination of the pKa Value of a Brønsted Acid by 19F NMR Spectroscopy	3
A robust t1 noise suppression method in NMR spectroscopy	3
Investigations on the defect structures for Mn2+ in CdSe nanocrystals and bulk materials and the criterion of occupation for Mn2+ in CdX (X = S, Se, Te) nanocrystals	3
Structure elucidation of a new bicoumarin derivative from the leaves of Dysoxylum parasiticum (Osbeck) Kosterm.	3
Structural determination of four manufacturing impurities of D&C Red No. 33	3
Simulation of oriented NMR spectra: Combining molecular dynamics and chemical shift tensor calculations	3
NMR spectroscopic and theoretical study on the isomerism of dimethyl benzodiazepine(diylidene)diacetates	3
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Reversibly Compressible Cross‐Linked Polystyrene Gels, Compatible With Toluene‐d8 and Pyridine‐d5, for Measurement of Residual Dipolar Couplings and Residual Chemic	2
Slice through the water—Exploring the fundamental challenge of water suppression for benchtop NMR systems	2
Intracellular pyruvate–lactate–alanine cycling detected using real‐time nuclear magnetic resonance spectroscopy of live cells and isolated mitochondria	2
Cryogen‐free 400‐MHz nuclear magnetic resonance spectrometer as a versatile tool for pharmaceutical process analytical technology	2
Computational 199Hg NMR	2
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Corrected solid‐state 13C nuclear magnetic resonance peak assignment and side‐group quantification of hydroxypropyl methylcellulose acetyl succinate pharmaceutical excipients	2
EPR characterization of Cu/Al‐Zr‐Ce ethanol dehydrogenation catalysts: Active site development and coking control	2
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Contact‐mediated nucleation in melt emulsions investigated by rheo‐nuclear magnetic resonance	2
SimpleNMR: An interactive graph network approach to aid constitutional isomer verification using standard 1D and 2D NMR experiments	2
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Removing acoustic ringing baseline curvature in 13C NMR spectra for quantitative analyses	2
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Structural Elucidation and NMR Spectral Assignments of New Diphenyl Ether Derivatives From Liuweizhiji Gegen‐Sangshen Oral Liquid	2
Charting the solid‐state NMR signals of polysaccharides: A database‐driven roadmap	2
27Al NMR diffusometry of Al13 Keggin nanoclusters	2
Solution and solid‐state 33S NMR studies of 33S‐labeled taurine	2
Penindolacid A, a new indole alkaloid from the marine‐derived fungus Penicillium sp.	2
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Monitoring live mitochondrial metabolism in real‐time using NMR spectroscopy	1
Liquid‐phase NMR of asphaltenes	1
Six new iridoid glucosides from Myxopyrum smilacifolium (Wall.) Blume	1
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1H‐13C cross‐polarization kinetics to probe hydration‐dependent organic components of bone extracellular matrix	1
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Computational1H and13C NMR in structural and stereochemical studies	1
Nuclear magnetic resonance‐based structural elucidation of novel marine glycans and derived oligosaccharides	1
Development of a method to determine the SFC in the fat phase of emulsions using TD‐NMR FID‐CPMG deconvolution	1
Investigating the interaction between merocyanine and glutathione through a comprehensive NMR analysis of three GSH‐stabilized merocyanine species	1
A career in NMR—An interview with Ad Bax	1
Benchmark accuracy of predicted NMR observables for quadrupolar 14N and 17O nuclei in molecular crystals	1
Stereoelectronic interactions: A booster for 4JHF transmission	1
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Unexpected structural/motional mode of water intercalated into an α‐crystalline zirconium phosphate deduced by 31P and 2H solid‐state MAS NMR spectra	1
Computational NMR of charged systems: A review	1
Supporting the assignment of NMR spectra with variable‐temperature experiments	1
Detailed 1H and 13C NMR structural assignment of ent‐polyalthic acid, a biologically active labdane diterpene	1
Interpretation of EPR and optical spectra of Ni(II) ions in crystalline lattices at ambient temperature	1
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Differentiation of regioisomeric N‐alkylation of some indazoles and pyrazolopyridines by advanced NMR techniques	1
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Plain 1H nuclear magnetic resonance analysis streamlines the quality control of antiviral favipiravir and congeneric World Health Organization essential medicines	1
Computer‐assisted structure elucidation (CASE): Current and future perspectives	1
Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry	1
Correction to “A reliable external calibration method for reaction monitoring with benchtop NMR”	1

A data‐oriented approach to making new molecules as a student experiment: artificial intelligence‐enabling FAIR publication of NMR data for organic esters	1
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Observing exocrine pancreas metabolism using a novel pancreas perfusion technique in combination with hyperpolarized [1‐13C]pyruvate	1
Frontiers in NMR metabolomics	1
Cross‐Correlation Between 11B Quadrupole and 11B‐19F Dipole–Dipole Coupling in BF2 Groups	1
Determination of self‐diffusion coefficients in mixtures with benchtop 13C NMR spectroscopy via polarization transfer	1
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Studying the interaction of glycans with intact virions and virus‐like particles by ligand‐observed NMR spectroscopy	1
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To flame‐seal or not to flame‐seal NMR tubes: The role of liquid–vapor equilibria on the accuracy of variable temperature experiments	1
You cannot fight the pressure: Structural rearrangements of active pharmaceutical ingredients under magic angle spinning	1
SMART‐Miner: A convolutional neural network‐based metabolite identification from 1H‐13C HSQC spectra	1
Investigations on the local structure and the spin Hamiltonian parameters for Cu2+ in xCuO−(68−x)V2O5−32TeO2 glasses	1
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Structural elucidation and nuclear magnetic resonance spectral assignments of five new compounds from Paraconiothyrium brasiliense	0
DFT investigation of coupling constant anomalies in substituted β‐lactams	0
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Application of time domain nuclear magnetic resonance (TD‐NMR) for study of the distillation curve of petroleum	0
Proton nuclear magnetic resonance (1H NMR) of flammable organic chemicals in radioactive high‐level supernatant waste at the Savannah River Site (SRS)	0
Investigation of the surfactant distribution in oil‐in‐water emulsions during the crystallization of the dispersed phase via nuclear magnetic resonance relaxometry and diffusometry	0
17O nuclear magnetic resonance: Recent advances and applications	0
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A holistic NMR framework to understand environmental impact: Examining the impacts of superparamagnetic iron oxide nanoparticles (SPIONs) in Daphnia magna via imaging, spectroscopy,	0
Identifying molecular functional groups of organic compounds by deep learning of NMR data	0
Accurate measurements of self‐diffusion coefficients with benchtop NMR using a QM model‐based approach	0
Micellar and solubilizing properties of rhamnolipids	0
LnDOTA‐d8, a versatile chemical‐shift thermometer for 2H solid‐state NMR	0
Hyperpolarization of common antifungal agents with SABRE	0
On phosphorus chemical shift anisotropy in metal (IV) phosphates and phosphonates: A 31P NMR experimental study	0
Benchtop nuclear magnetic resonance spectroscopy in forensic chemistry	0
1H and 13C NMR spectra of infinitene and the ring current effect of the aromatic molecule	0
A comparable study of the optical spectra and EPR parameters for 3d1‐ and 3d9‐doped MgNH4PO4·6H2O	0
A pilot study for fragment identification using 2D NMR and deep learning	0
In situ 13C solid‐state polarization transfer NMR to follow starch transformations in food	0
Discrimination of stereoisomers by one‐dimensional 13C NMR: All 16 stereoisomers of 4‐hydroxy‐α‐tocopherol resolved	0
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MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum	0
Quantitative analysis of selected alkaloids of Mitragyna speciosa using 1H quantitative nuclear magnetic resonance spectroscopy	0
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Synthesis, isolation and characterisation of fluorinated‐benzimidazoisoquinoline regioisomers	0
Anomalous 1H NMR chemical shift behavior of substituted benzoic acid esters	0
Speedy Component Resolution Using Spatially Encoded Diffusion NMR Data	0
The efficiency of micellar solubilization of naphthalene from aqueous solutions using rhamnolipid as a biological surfactant according to NMR diffusometry	0
13C‐depleted algae as food: Permitting background free in‐vivo nuclear magnetic resonance of Daphnia magna at natural abundance	0
Solid‐state 35/37Cl NMR detection of chlorine atoms directly bound to paramagnetic cobalt(II) ions in powder samples	0
Applications of machine learning and artificial intelligence in NMR	0
Choice of computational protocol for carbon‐lithium spin–spin coupling constants 1JCLi	0
Ambient temperature 1H/13C NMR spectra of sodium 3‐(trimethylsilyl)propane‐1‐sulfonate (DSS) in D2O referenced to external TMS: A discussion of these and closely relat	0
Combined application of DP4+ and ANN‐PRA to determine the relative configuration of natural products: The alpha‐bisabol case study	0
Mapping of 1H NMR chemical shifts relationship with chemical similarities for the acceleration of metabolic profiling: Application on blood products	0
Correction to “Revisiting aliasing noise to build more robust sparsity in nonuniform sampling 2D‐NMR”	0
Longitudinal relaxation rate measurements for different signals unveiled by nutation spectroscopy: Application to the characterization of two arrangements experienced by water in a clay network	0
Probing Spatial Proximities Between Protons of Collagen Protein in Native Bone Using 2D 1H Multiple Quantum Experiments Under Fast MAS NMR	0
Automated qualitative and quantitative analysis of complex forensic drug samples using 1H NMR	0
An insight into tapioca and wheat starch gelatinization mechanisms using TD‐NMR and complementary techniques	0
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Tautomerism of pyridinylbutane‐1,3‐diones: An NMR and DFT study	0
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Investigations on the EPR g factors and local structures for the orthorhombic and tetragonal Cu2+ centers in Pb[Zr0.54Ti0.46]O3	0
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Characterization of the sodium binding state in several food products by23Na nuclear magnetic resonance spectroscopy	0
The powder X‐band electron paramagnetic resonance spectroscopy of septet pyridyl‐2,4,6‐trinitrene	0
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Fluorine spin–spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels	0
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Graphical exploration of 600‐ and 60‐MHz proton NMR spectral datasets from ground roast coffee extracts	0
Pure shift FESTA: An ultra‐high resolution NMR tool for the analysis of complex fluorine‐containing spin systems	0
A theoretical study of the electron paramagnetic resonance spectra and local environment in copper(II) complexes with different imidazole and chlorido ligands	0
Four‐component relativistic calculations of NMR shielding constants of the transition metal complexes. Part 1: Pentaammines of cobalt, rhodium, and iridium	0
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Exploring the structure of pure germanophospate glasses with different concentrations probed by magic angle spinning NMR spectroscopy	0
Theoretical investigations on the defect structures and g factors for V4+ in 30PbO‐5Bi2O3‐(65‐x)SiO2 glasses at different concentrations	0
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On the geometry dependence of the nuclear magnetic resonance chemical shift of mercury in thiolate complexes: A relativistic density functional theory study	0
Complete 1H, 13C, and 15N assignments of the minor isomer of codeine N‐oxide	0
Challenges and opportunities in elucidating the structures of biofilm exopolysaccharides: A case study of the Pseudomonas aeruginosa exopolysaccharide called Pel	0
Studies on the EPR parameters and local angular distortion for the tetragonal Cu2+ center in CaWO4 crystal	0
A 43Ca nuclear magnetic resonance perspective on octacalcium phosphate and its hybrid derivatives	0
Hydrogen bond formation may enhance RDC‐based discrimination of enantiomers	0
Density functional theory‐nuclear magnetic resonance‐validated full structure elucidation of theionbrunonine C, an unstable N‐oxide theionbrunonine from Mostuea brunonis	0
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Steric and electronic effects on the 1H hyperpolarisation of substituted pyridazines by signal amplification by reversible exchange	0
Structural analysis of unstable norbixin isomers guided by pure shift nuclear magnetic resonance	0
Evaluation of Automatic Analysis Software for 1H NMR Spectra Quantification. Impact of Signal Broadening and EDTA Addition	0
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Revealing elusive conformations of sucrose from hydrogen bond J‐coupling in H2O: A combined NMR and quantum mechanics study	0
Density functional theory calculations of copper‐doped rutile crystals: Local structural, electronic, optical, and electron paramagnetic resonance properties	0
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Tritium NMR: A compilation of data and a practical guide	0