NMR-instrument specific component of metabolomics investigations

def: Over the past few years there has been a significantly growing demand for miniaturization in all areas ofmodern research and development. Evoked by many exciting applications, there is a need for analytical methods which require less amounts of sample. Bruker BioSpin meets this challenge with a revolutionary NMR probe design: The 1mm MicroProbe. It operates with disposable 1mm capillary sample tubes and the sample volume of 5 microliters enables the use of lowest amounts of sample to run all high resolution NMR experiments with outstanding sensitivity and up to 16 times faster measurements. Due to the TXI-type probe design, the z-gradient coil and the automatic matching and tuning accessory, the 1mm MicroProbe can be used for a wide variety of NMR experiments. The key advantages of this probe include: up to 4 times higher mass sensitivity than 5mm conventional probes (with respect to the same sample amount) excellent solvent suppression properties virtually no salt effect discrete samples in tubes that can be sealed and stored automation accessory for sample preparation and handling available defprov: Bruker website

has super-classes: Bruker_NMR_probe^c

29Si^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400157

has super-classes: acquisition_nucleus^c

2H^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400152

Current version:: TODO: Do we need definitions here?

has super-classes: acquisition_nucleus^c

31P^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400158

has super-classes: acquisition_nucleus^c

?result^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400125

defneed clsdel: was under study_report

has super-classes: realizable entity^c
has sub-classes: quality_check_result^c

AC^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400241

has super-classes: Bruker_NMR_instrument^c

Acorn_NMR_Inc^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400270

has super-classes: NMR_vendor^c

acquisition_computer^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400013

def: A Computer used for NMR, can be divided into central processing unit (CPU), consisting of instruction, interpretation and arithmetic unit plus fast access memory, and peripheral devices such as bulk data storage and input and output devices (including, via the interface, the spectrometer). Under software control, the computer controls the RF pulses and gradients necessary to acquire data, and process the data to produce spectra or images. Note that devices such as the spectrometer may themselves incorporate small computers.

has super-classes: cardinal_part_of_NMR_instrument^c

acquisition_nucleus^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400083

def: The nucleus of an element or isotope that is being studied during an NMR analysis. Common NMR requirements include direct 1D and 2D proton-only NMR, direct observation of 13C NMR with 1H decoupling, direct observation of other nuclei such as 19F, 31P, 29Si, 31P, 27Al, and 15N (with or without 1H decoupling), triple resonance NMR (especially inverse triple resonance such as 1H observe, 13C and 15N decouple), and inverse 2D and 3D experiments such as HMQC and HMBC.

has super-classes: role^c
has sub-classes: 11B^c, 13C^c, 15N^c, 17O^c, 19F^c, 1H^c, 29Si^c, 2H^c, 31P^c

acquisition_parameter_set_file_reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400118

def: A reference to the file of acquisition parameters produced by a machine.

has super-classes: file_reference^c

additional_axis_unit^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400093

def: The unit of measurement of the second dimension of a 2D NMR dataset.

has super-classes: o b i 20^c

algorithm^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400003

def: An algorithm is a procedure (a finite set of well-defined instructions) for accomplishing some task which, given an initial state, will terminate in a defined end-state. defprov:wiki

has super-classes: method^c
has sub-classes: post-processing_algorithm^c

AMIX_VIEWER_&_AMIX-TOOLS^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400221

has super-classes: Bruker_NMR_software^c

AMX^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400240

has super-classes: Bruker_NMR_instrument^c

analysis^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400005

def: An investigation of the component parts of a whole and their relations in making up the whole. defprov: Google define altdef: A systematic approach to problem solving. Complex problems are made simpler by separating them into more understandable elements. This involves the identification of purposes and facts, the statement of defensible assumptions, and the formulation of conclusions.

has super-classes: method^c
has sub-classes: NMR_analysis^c

APOLLO^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400249

defneed

has super-classes: tecmag_console^c

atom_environment_encoding^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400089

def: A scheme for producing a numerical representation of the environment of an atom.

has super-classes: o b i 20^c

AURELIA^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400219

has super-classes: Bruker_NMR_software^c

AUREMOL^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400220

has super-classes: Bruker_NMR_software^c

autosampler^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400002

def: An optional part of an NMR instrument used to hold samples prior to NMR analysis and that sequentially loads these samples into the analytical part of the NMR instrument. altdef: The autosampler is an automatic sample changer.

has super-classes: o b i 47^c
has sub-classes: Bruker_autosampler^c

AVANCE_II_spectrometer^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400197

Current version:: TODO: May need no definition

defneed

has super-classes: Bruker_NMR_instrument^c

B-ACS^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400210

def: The Bruker Automatic Sample Changer (B-ACS 60/120), used in conjunction with Bruker DISNMR, UXNMR or XWIN-NMR software, provides dialog-guided facilities which allow the user to easily and effectively perform automatic (continuous) experiments. Features include a 60 or 120 sample capacity, random accessing of samples, positive sample identification with the optional bar code reader, and temperature control of individual samples with the optional sample heater unit. defprov: Bruker website

has super-classes: Bruker_autosampler^c

baseline_correction^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400074

def: A method of flattening the baseline of a spectrum.

has super-classes: data_transformation^c

Bruker^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400256

Current version:: TODO: May not need definition due to its instance character.

defneed

has super-classes: NMR_vendor^c

Bruker_AutoClean^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400205

def: In today's fast-paced research environment, NMR tubes are often used once and discarded, creating needless waste. With the Bruker BioSpin Autoclean™ system you can now recycle 5mm, 3mm, or 5mm/3mm step-down (Wilmad 520-1B) NMR tubes. AutoClean NMR Tube Washing System is a simple way to recoup the substantial investment your organization makes in quality NMR tubes, and cut back on needless waste material. defprov: Bruker website

has super-classes: NMR_tube_washing_system^c

Bruker_autosampler^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400209

defneed

has super-classes: autosampler^c
has sub-classes: B-ACS^c, Bruker_BEST_NMR^c, NMR_Case^c, SampleJet^c

Bruker_BEST_NMR^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400206

def: The introduction of biological screening and combinatorial chemistry for chemical synthesis has also introduced new requirements for NMR automation, e.g., the use of well plates for sample input, increased demands on throughput, and the need for quick and simple interpretation of the acquired NMR data. defprov: Bruker website synonym: Bruker Efficient Sample Transfer NMR

has super-classes: Bruker_autosampler^c

Bruker_MATCH^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400211

def: The Bruker Multiple Adjustable Tube Clamp Holder MATCH™ system is a holder for 100 mm long NMR sample tubes with diameters ranging from micro tubes up to 5 mm NMR tubes. The MATCH insert fits into a standard 10 mm Bruker spinner and is suitable for all non-spinning applications. The MATCH system provides an easy and cost efficient means of optimizing the signal-to-noise ratio of each sample. By matching the NMR tube diameter to the size of the sample, most of the sample can be placed in the active column of the NMR coil. This leads to an enhanced signal detection compared to diluting the same sample quantity in a larger tube. defprov: Bruker website synonym: Bruker Multiple Adjustable Tube Clamp Holder

has super-classes: NMR_sample_holder^c

Bruker_NMR_instrument^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400198

defneed

has super-classes: NMR_instrument^c
has sub-classes: AC^c, AMX^c, AVANCE_II_spectrometer^c, Capillary_LC-NMR^c, Hyphenation^c, Metabolic_Profiler^c

Bruker_NMR_magnet^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400186

defneed

has super-classes: NMR_magnet^c
has sub-classes: US_2^c, UltraShield^c, UltraShield_Plus^c, Ultrastabilized^c

Bruker_NMR_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400231

Current version:: TODO: May need no definition.

defneed

has super-classes: NMR_probe^c
has sub-classes: 1mm_MicroProbe^c, CryoProbe^c, HR_Probes_with_ATM^c, High_resolution_probe^c, Micro_Imaging_probe^c, flow_high_resolution_probe^c, high_resolution_magic_angle_spin_probe^c, solid_magic_angle_spinning_probe^c

Bruker_NMR_software^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400214

Current version:: TODO: May need no definition.

defneed

has super-classes: NMR_software^c
has sub-classes: AMIX_VIEWER_&_AMIX-TOOLS^c, AURELIA^c, AUREMOL^c, NMR_Suite^c, Paravision^c, SampleTrack^c, TopSpin_1.3^c

bucketed_spectrum^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400009

Current version:: TODO: has spectral post processing parameter

def: A post-processed NMR spectrum in which the y-values of the datapoints have been summed based on periodic ranges of the x-axis values.

has super-classes: NMR_spectrum^c

bucketing^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400138

def: A post-processing method that divides a pre-processed NMR spectrum into a series of buckets (or bins) along the x-axis, and then integrates the spectral intensity within each bucket. altdef: A type of automated integration which occurs across pre-defined regions for a spectrum.

has super-classes: spectrum_post-processing^c

buffer^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400031

def: A compound added to a sample to alter its pH value.

has super-classes: role^c

calibration_compound^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400032

def: The compound that produced the peak used to reference a spectrum during data pre-processing.

has super-classes: role^c

calibration_reference_shift^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400021

def: The parts-per-million value of the peak used to reference a spectrum.

has super-classes: o b i 3^c

Capillary_LC-NMR^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400201

has super-classes: Bruker_NMR_instrument^c

CapNMR_Probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400233

has super-classes: JEOL_NMR_probe^c

cardinal_part_of_NMR_data_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400007

tempdef: An immanent important, non-obligatory part of any NMR data set. defprov: Daniel Schober synonym: cardinal part of NMR data set

has super-classes: complex_datatype^c
has sub-classes: NMR_spectrum^c, one_dimensional_free_induction_decay^c, two_dimensional_free_induction_decay^c

cardinal_part_of_NMR_instrument^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400011

def: A part of an NMR instrument which is cardinally important and hence obligatory and compulsatory for the proper intended function of the instrument. synonym: cardinal part of NMR instrument

has super-classes: o b i 47^c
has sub-classes: NMR_magnet^c, NMR_probe^c, NMR_sample_holder^c, acquisition_computer^c, console^c, tube^c

CAT^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400251

has super-classes: tecmag_NMR_instrument^c

chemical_compound^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400030

Current version:: TODO: May be imported from other Ontology.

tempdef: A chemical compound is a small object which reacts chemically and is usually a molecule or composed out of molecules. defprov: Daniel Schober

has super-classes: object^c

chemical_shift_standard^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400033

def: A compound that is added to an NMR sample to enable the alignment of spectra. The power of NMR is that for most nuclei the NMR frequency changes very slightly with different molecular environment or chemical bonding. These shifts are very small, on the order of 1 part in 10+9. This is referred to as "Chemical Shift." Tables of chemical shifts are tabulated and used to determine molecular structure. Combining NMR chemical shift information with other NMR information such as peak integration, coupling constants and Nuclear Overhauser Enhancement (NOE) can result in complete three-dimensional molecular structures of molecules in solution without using X-ray crystallography.

has super-classes: role^c

coherence_pathway_rejection^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400146

tempdef: A water suppression method which is used to suppress the natural water signal in a gradient selection experiment (e.g. echo/antiecho), where the water coherence is not "refocused" by the refocus gradient (therefore, is not selected). defprov: Daniel Schober

has super-classes: water_suppression_method^c

complex_datatype^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400036

def: A complex datatype (or complex value) is a datatype that is not a primitive one (like string or integer) and that references to more primitive values. Often, these are called reference data types. Complex datatypes can belong to the object data type. Data types that define sets of complex values include Array, Date, Error, Function, and XML and others.

has super-classes: o b i 43^c
has sub-classes: NMR_data_set^c, cardinal_part_of_NMR_data_set^c

concentration^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400018

def: The ratio of the mass or volume of a solute to the mass or volume of the solution or solvent.

has super-classes: o b i 3^c

console^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400015

Current version:: TODO: same as or part of acquisition computer?

def: A component of an NMR instrument that controls the activities of the other components.

has super-classes: cardinal_part_of_NMR_instrument^c
has sub-classes: tecmag_console^c

convolution^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400110

defneed

has super-classes: post-acquisition_water_suppression_method^c

CryoProbe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400191

def: The Bruker BioSpin CryoProbe is a high-performance cryogenically cooled probe developed for high-resolution applications. It has improved signal/noise (S/N) ratios obtained by reducing the operating temperature of the coil and the pre-amplifier. As a result, the efficiency of the coil is improved and the noise of the coil and the pre-amplifier are reduced.The dramatic increase in the S/N ratio by a factor of 3-4, as compared to conventional probes, leads to a possible reduction in experiment time of up to 16 or a reduction in required sample concentration by a factor of up to 4. The CryoProbes possess key characteristics for NMR analysis: Significant S/N gains (with moderately salty samples also) Short pulse widths Short ring down times Linear behavior in power response Gradient capability CryoProbes are available as Triple Resonance, Dual, Selective X Detection, MicroImaging, and Quad Nucleus Probes configurations at 400 MHz and higher All high resolution probes have a lock circuit All high resolution probes have Z-gradient defprov: Bruker website

has super-classes: Bruker_NMR_probe^c

data_post-processing^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400038

def: Automatic or manual procedures performed upon pre-processed NMR data sets that aim to summarise them or annotate them with speculative values.

has super-classes: data_processing_method^c
has sub-classes: NMR_spectral_post-processing^c

data_pre-processing^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400040

defneed

has super-classes: data_processing_method^c
has sub-classes: NMR_data_pre-processing^c

data_pre-processing_software^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400134

def: A software artifact used during data pre-processing.

has super-classes: o b i 10^c

data_processing_method^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400042

def: A method or algorithm that converts an input data set into an output data set in a tracable and useful manner.

has super-classes: method^c
has sub-classes: data_post-processing^c, data_pre-processing^c, data_transformation^c, encoding_method^c

data_transformation^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400043

def: A method for transforming the time-based acquisition data into frequency-based data.

has super-classes: data_processing_method^c
has sub-classes: baseline_correction^c, first_order_phase_correction^c, fourier_transformation^c, non-fourier_transformation^c, normalisation_strategy^c, spectral_denoising^c, spectrum_post-processing^c, symmetrise^c, zero_order_phase_correction^c

decoupled_nucleus^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400029

def: An indication of whether the nucleus being studied is the acquitsition nucleus.

has super-classes: o b i 3^c

Delta^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400230

has super-classes: JEOL_NMR_software^c

DISCOVERY^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400247

def: The Discovery™ is a Windows XP Professional-based, integrated console designed especially for Solid-State NMR. The console includes everything needed to interface to any magnet and solids probe - from computer to cables to duplexing network defprov: tecmag website

has super-classes: tecmag_console^c

Doty_Scientific^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400264

has super-classes: NMR_vendor^c

dwell_time^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400023

def: A digital sampling interval. alsprcls: time_interval

has super-classes: o b i 3^c

ECA^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400228

has super-classes: JEOL_NMR_instrument^c

echo_anti-echo^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400057

defneed

has super-classes: encoding_method^c

ECX^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400227

has super-classes: JEOL_NMR_instrument^c

encoding_method^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400048

tempdef: A data processing method which compresses a data file for a specific purpose. defprov: Daniel Schober

has super-classes: data_processing_method^c
has sub-classes: Frydman_encoding^c, Hadamard_encoding^c, echo_anti-echo^c, projection_method^c, quantum_momentum_field_gradient^c, radon_encoding^c, states^c, states-time_proportional_phase incrementation^c, time_proportional_phase incrementation^c

excitation_sculpting^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400144

def: A specific technique used to suppress the solvent signal in a spectrum. altdef:: A type of pulse sequence (or part of it) used to suppress a frequency (most commonly solvent).

has super-classes: water_suppression_method^c

exponential_multiplication^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400069

def: The exponential function used to multiply a FID by to produce a desitred amount of line broadening.

has super-classes: window_function_method^c

field_strength^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400027

def: The intensity of an electric, magnetic, or other field.

has super-classes: o b i 3^c
has sub-classes: magnetic_field_strength^c

file_reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400267

defneed

has super-classes: reference^c
has sub-classes: acquisition_parameter_set_file_reference^c, free_induction_decay_file_reference^c, processing_parameter_set_file_reference^c, pulse_sequence_file_reference^c, shaped_pulse_file_reference^c

first_order_phase_correction^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400080

defneed

has super-classes: data_transformation^c

flip-back_watergate^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400147

defneed

has super-classes: watergate^c

flow_high_resolution_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400195

def: Hyphenated analytical techniques combining mass spectrometry and chromatography are well-established laboratory tools. The combination of chromatography and NMR has also made its way into the analytical laboratory. Further developments even combine all three techniques into an LC-NMR/NMR-MS system. The use of solid phase extraction provides an efficient interface between chromatography and NMR with demands for special type of flow probes. defprov: Bruker website synonym: flow_HR-probe

has super-classes: Bruker_NMR_probe^c

flow_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400131

defneed

has super-classes: sample_introduction_parameter^c

fourier_transformation^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400044

tempdef: An integral data transformation that re-expresses a function in terms of sinusoidal basis functions, i.e. as a sum or integral of sinusoidal functions multiplied by some coefficients ("amplitudes"). defprov: Daniel Schober

has super-classes: data_transformation^c

free_induction_decay_file_reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400119

def: A reference to a file containing the raw FID. synonym: FID_file_reference

has super-classes: file_reference^c

Frydman_encoding^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400056

defneed

has super-classes: encoding_method^c

G_matrix_fourier_transform_projection^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400049

tempdef:GFT NMR allows for rapid multidimensional FT NMR spectral information gathering, avoiding sampling limitations without compromising on the precision of chemicalshift. defprov: ttp://www.nsm.buffalo.edu/Research/GFT/szyperski_publications_1st_page/Szyperski%2067.pdf synonym: GFT-projection

has super-classes: projection_method^c

gaussian_broadening^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400070

defneed

has super-classes: window_function_method^c

GEMINI^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400239

has super-classes: Varian_NMR_instrument^c

Hadamard_encoding^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400054

defneed

has super-classes: encoding_method^c

hadamard_frequency^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400019

def: A frequency used during Hadamard encoding.

has super-classes: o b i 3^c

hankel_singular_value_decomposition^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400109

def: This Method removes the residual water and its side lobes, thereby reducing the baseline for the metabolites of interest and allowing subsequent data analysis using more sophisticated nonlinear least squares algorithms. synonym: HSVD

has super-classes: post-acquisition_water_suppression_method^c

high_resolution_magic_angle_spin_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400192

def: Samples that are neither solid nor liquid, being of biological, chemical, and/or pharmaceutical interest, reveal highly resolved spectra when magic angle spinning is applied. The correct solution is a gradient, such that the field varies along the spinner axis. This so-called Magic Angle Gradient is employed in Bruker’s high resolution Magic Angle Spinning (hr-MAS) probes, and is implemented in such a way that it is compatible with the stator and does not interfere with the sample eject/insert. Bruker BioSpin has developed a series of dedicated probes for standard bore magnets to accommodate the rapidly expanding field of hr-MAS. These probes are available in double (e.g. 1H and 13C) and triple resonance (e.g., 1H, 13C, 15N) modes and come equipped with a deuterium lock channel. The probes have automatic sample ejection and insertion capability, with the availability of an optional sample changer, enabling fully automated sample runs. Probes can be equipped with an optional B0 gradient, directed along the magic angle, so that gradient spectroscopy can be done used. defprov: Bruker website altdef: High resolution MAS (hr-MAS) provides an easy means of obtaining high resolution spectra for a variety of samples that would otherwise result in poorly resolved spectra. The addition of an hr-MAS probe and a MAS pneumatic unit to a standard high resolution spectrometer is all that is needed to open the gate to the world of hr-MAS spectroscopy and gain access to a vast amount of highly interesting samples. synonyms: High resolution MAS, hr-MAS

has super-classes: Bruker_NMR_probe^c

High_resolution_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400223

def:BRUKER BIOSPIN's experienced Research & Development group not only delivers top-performance probes for the more common experiments, but also a wealth of special probes for almost any application. For high resolution (HR) NMR we offer probes with a variety of important characteristics and features. defprov: Bruker website synonym: HR Probe

has super-classes: Bruker_NMR_probe^c

HR_Probes_with_ATM^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400224

def: The ATM option for AVANCE spectrometers is available for: Double resonance probes in fixed-frequency and broadband tunable configurations with either direct or indirect detection. Thus, for multinuclear operation, as often required for applications in inorganic chemistry, ATM facilitates the accurate setting of 90° pulsewidths on both observe and decoupling channels for each chosen nucleus and each individual sample - even with full automation. Triple resonance probes in fixed-frequency configurations, as typically used for inverse detection with high-field systems. defprov: Bruker website synonym: High Resolution Probes with Automatic Tuning and Matching

has super-classes: Bruker_NMR_probe^c

Hyphenation^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400200

has super-classes: Bruker_NMR_instrument^c

INOVA^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400236

has super-classes: Varian_NMR_instrument^c

instrument_configuration^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400062

An instrument configuration is the process of setting the possible parameters of an instrument in order to archive a certain intended goal.

has super-classes: o b i 3^c
has sub-classes: NMR_instrument_configuration^c

irradiation_frequency^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400026

def: The frequency of the RF radiation used to irradiate an NMR sample.

has super-classes: o b i 3^c

JEOL^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400258

has super-classes: NMR_vendor^c

JEOL_NMR_instrument^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400226

has super-classes: NMR_instrument^c
has sub-classes: ECA^c, ECX^c

JEOL_NMR_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400232

defneed

has super-classes: NMR_probe^c
has sub-classes: CapNMR_Probe^c

JEOL_NMR_software^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400229

has super-classes: NMR_software^c
has sub-classes: Delta^c

JS_Research^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400266

has super-classes: NMR_vendor^c

jump_and_return^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400148

tempdef: A jump and return pulse sequence method is a water suppression method that uses a defined pulse sequences to make fast exchanging protons visible. synonym: jump and return pulse sequence

has super-classes: water_suppression_method^c
has sub-classes: jump_and_return_1-1^c, jump_and_return_1-3-3-1^c

jump_and_return_1-1^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400149

tempdef: A jump and return 1-1 pulse sequence method is a jump and return method that uses one 90 degree pulse and one 90 degree return puls to make fast exchanging protons visible, first described by Plateau,P. and Gueron,M. (1982) J. Am. Chem. Soc., 104, 7310–7311. Compared to the 1-3-3-1 method it has a lower receiver gain and the dispersive tail of water interferes with the signals of interest.

has super-classes: jump_and_return^c

jump_and_return_1-3-3-1^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400150

tempdef:A jump and return 1-3-3-1 pulse sequence method is a jump and return method that uses a 1-3-3-1 pulse sequence to make fast exchanging protons visible. Compared to the 1-1 method it has better water suppression (higher receiver gain) capabilities, but with offset-dependent phase distortion (unsuitable for 2D).

has super-classes: jump_and_return^c

line_broadening^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400097

defneed

has super-classes: window_function_parameter^c

line_sharpening^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400098

defneed

has super-classes: window_function_parameter^c

liquid_NMR_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400242

has super-classes: NMR_probe^c

literature_reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400268

defneed

has super-classes: reference^c

magic_angle_spinning_rotor^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400130

defneed synonym: MAS_rotor

has super-classes: sample_introduction_parameter^c

magnetic_field_strength^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400253

defneed

has super-classes: field_strength^c

maximum_intensity_projection^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400076

defneed

has super-classes: projection_method^c

MERCURY^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400235

has super-classes: Varian_NMR_instrument^c

Metabolic_Profiler^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400199

has super-classes: Bruker_NMR_instrument^c

method^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400063

Current version:: altspcls: process ???

defneed

has super-classes: realizable entity^c
has sub-classes: algorithm^c, analysis^c, data_processing_method^c, quality_control_method^c, sample_introduction_method^c, water_suppression_method^c, window_function_method^c

Micro_Imaging_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400225

defneed

has super-classes: Bruker_NMR_probe^c

MR_Resources^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400259

has super-classes: NMR_vendor^c

ninety_degree_pulse_duration^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400022

def: The duration of the excitation pulse needed to rotate the magnetisation vector by 90 degrees. synonym: 90 degree pulse duration

has super-classes: o b i 3^c

NMR_analysis^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400006

def: The analysis of one NMR sample at one time by NMR producing one raw dataset (a FID). synonym: NMR analysis

has super-classes: analysis^c

NMR_Case^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400203

def: The NMR Case is an economical NMR sample changer for laboratories with modest automation needs. It expands the maximum number of samples your spectrometer can process during unattended operation to 24. The NMR Case consists of multiple components. The NMR Case exchange module installed atop your cryostat. The two front legs are adjustable, making the NMR Case compatible with many different cryostats. defprov: Bruker website

has super-classes: Bruker_autosampler^c

NMR_cryo_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400252

defneed

has super-classes: NMR_probe^c

NMR_data_pre-processing^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400041

def: The process of producing a spectrum from raw data. synonym: NMR data pre-processing

has super-classes: data_pre-processing^c

NMR_data_pre-processing_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400114

defneed synonym: NMR data pre-processing parameter set

has super-classes: pre-processing_parameter_set^c

NMR_data_pre-processing_parameter_set_by_dimension^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400103

def: The set of variables dependent on a given pulse sequence for a given dimension that will be optimised in order to acquire a spectrum. synonym: NMR data pre-processing parameter set by dimension

has super-classes: pre-processing_parameter_set^c

NMR_data_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400047

def: A data set that was generated within, from or for an NMR experiment. synonym: NMR data set

has super-classes: complex_datatype^c
has sub-classes: pulse_sequence^c

NMR_imaging_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400244

defneed

has super-classes: NMR_probe^c

NMR_instrument^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400059

def: An Instrument which is used to carry out a NMR analysis of some sample. synonym: NMR instrument

has super-classes: o b i 47^c
has sub-classes: Bruker_NMR_instrument^c, JEOL_NMR_instrument^c, Varian_NMR_instrument^c, tecmag_NMR_instrument^c

NMR_instrument_acquisition_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400061

def: The list of parameters that describe the instrument settings used for the acquisition of a spectrum. altdef: The set of variables dependent on a given pulse sequence that will be optimised in order to acquire a spectrum. synonym: NMR instrument acquisition parameter set

has super-classes: NMR_instrument_parameter_set^c
has sub-classes: one_dimensional_NMR_acquisition_parameter_set^c, two_dimensional_NMR_acquisition_parameter_set^c

NMR_instrument_configuration^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400184

def: The configuration of an NMR Instrument. synonym: NMR_instrument_configuration

has super-classes: instrument_configuration^c
has sub-classes: one_dimensional_NMR_configuration^c, two_dimensional_NMR_configuration^c

NMR_instrument_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400196

defneed

has super-classes: NMR_parameter_set^c
has sub-classes: NMR_instrument_acquisition_parameter_set^c

NMR_magnet^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400185

def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the nmr acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss.

has super-classes: cardinal_part_of_NMR_instrument^c
has sub-classes: Bruker_NMR_magnet^c

NMR_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400101

defneed

has super-classes: o b i 11^c
has sub-classes: NMR_instrument_parameter_set^c, NMR_quality_check_parameter_set^c, NMR_spectral_projection_parameter_set^c, NMR_spectrum_post-processing_parameter_set^c, NMR_two_dimensional_J-resolved_processing_parameter_set^c, pre-processing_parameter_set^c

NMR_plattform^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400202

Current version:: TODO: What is the differrence to NMR instrument?

defneed

has super-classes: o b i 50^c

NMR_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400014

def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample.

has super-classes: cardinal_part_of_NMR_instrument^c
has sub-classes: Bruker_NMR_probe^c, JEOL_NMR_probe^c, NMR_cryo_probe^c, NMR_imaging_probe^c, liquid_NMR_probe^c, solid_NMR_probe^c

NMR_quality_check^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400116

def: The process of ensuring the quality of the raw data that results from an NMR analysis. synonym: NMR quality check

has super-classes: quality_check^c

NMR_quality_check_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400107

tempdef: A nuclear magnetic resonance spectroscopy quality check parameter set is a parameter set used for the quality check method for an NMR analysis synonym: NMR quality check parameter set

has super-classes: NMR_parameter_set^c

NMR_quality_check_result^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400126

def: A result of an NMR quality check. synonym: NMR quality check result

has super-classes: quality_check_result^c

NMR_sample^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400128

def: A sample that has been prepared for chemical analysis by NMR. NMR samples are usually liquid solutions contained in glass tubes. NMR solution sample volume ranges from 50ul to 5ml depending on the NMR probe. Sample concentrations of solute for 1H NMR are usually in the range of 100ug to 5g, with 10 to 50mg being typical. NMR is not a chemical trace analysis technique. The NMR signal of solids and gases can be recorded but to measure solid-state NMR additional specialized hardware is required. synonym: NMR sample

has super-classes: sample^c

NMR_sample_holder^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400212

def: A NMR sample holder is the part of an NMR instrument, which carries the nmr probe,sample tube and the nmr sample.

has super-classes: cardinal_part_of_NMR_instrument^c
has sub-classes: Bruker_MATCH^c

NMR_sample_reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400124

def: A reference to information on the provenance of the NMR sample. synonym: NMR sample reference

has super-classes: reference^c

NMR_software^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400213

defneed

has super-classes: o b i 10^c
has sub-classes: Bruker_NMR_software^c, JEOL_NMR_software^c

NMR_solvent^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400035

def: A compound added to a sample to an NMR sample to align the spectrometer frequency. synonym: NMR solvent

has super-classes: role^c

NMR_spectral_post-processing^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400039

def: The process of producing an annotated spectrum from a pre-processed spectrum. synonym: NMR spectral post processing

has super-classes: data_post-processing^c

NMR_spectral_projection_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400105

def: The data processing parameters that describe a method of translating a 2D NMR pre-processed spectrum into a 1D NMR spectrum. synonym: NMR spectral projection parameter set

has super-classes: NMR_parameter_set^c

NMR_spectrum^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400183

tempdef: A frequency sorted array of the NMR signal frequency components. Nuclei with different resonance frequencies will show up as peaks at different corresponding frequencies in the spectrum, or 'lines'. synonym: NMR spectrum

has super-classes: cardinal_part_of_NMR_data_set^c
has sub-classes: bucketed_spectrum^c, one_dimensional_spectrum^c, peak-picked_spectrum^c, projected_spectrum^c, two_dimensional_spectrum^c

NMR_spectrum_post-processing_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400106

Current version:: TODO: altsprcls: process, not clear wether set is plural (list) or process.

def: A description of the post-processing strategy used to convert a pre-processed NMR spectrum into a suitable data format for chemometric analysis. synonym: NMR spectrum post-processing parameter set

has super-classes: NMR_parameter_set^c

NMR_Suite^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400216

has super-classes: Bruker_NMR_software^c

NMR_tube_washing_system^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400204

defneed

has super-classes: o b i 47^c
has sub-classes: Bruker_AutoClean^c

NMR_two_dimensional_J-resolved_processing_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400104

def: The list of parameters that describe the settings used to process a 2D J-resolved NMR spectrum. altdeft: The set of variables associated with adjusting the spectrum in the frequency domain to phase, baseline correct and integrate a spectrum. synonym: NMR 2D J-resolved processing parameter set

has super-classes: NMR_parameter_set^c

NMR_vendor^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400255

defneed

has super-classes: vendor^c
has sub-classes: Acorn_NMR_Inc^c, Bruker^c, Doty_Scientific^c, JEOL^c, JS_Research^c, MR_Resources^c, Varian^c, Wilmad^c, tecmag^c

non-fourier_transformation^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400045

Current version:: TODO:Exclusion guided definition.

tempdef: A non FT based method for converting from the time to the frequency domain.

has super-classes: data_transformation^c

normalisation_strategy^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400064

def: A strategy for normalising a data set.

has super-classes: data_transformation^c

nuclear_overhauser_and_exchange_spectroscopy-presat^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400142

tempdef: The presat for an nuclear overhauser and exchange spectroscopy experiment. A 2D method used to map NOE correlations between protons within a molecule. The nuclear Overhauser effect (NOE) causes changes in peak areas, as a secondary effect of decoupling. defprov: Daniel Schober synonym: NOESY-presat

has super-classes: water_suppression_method^c

number_of_data_points^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400017

Current version:: TODO: Def not aristotelian.

tempdef: The number of data points in a data set.

has super-classes: o b i 3^c

number_of_scans^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400087

def: The number of repeat scans performed and summed to create the data set for an NMR sample.

has super-classes: o b i 20^c

number_of_steady_state_scans^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400088

def: The number of scans whose data is not summed to create the data set for an NMR sample, but that are carried out to establish the steady-state of relaxation for the nuclei.

has super-classes: o b i 20^c

one_dimensional^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400169

def: One dimensional (referring to a FID, pre-processed spectrum, or post-processed spectrum). synonym: 1D

has super-classes: pulse_sequence^c

one_dimensional_carr_purcell_meiboom_gill^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400167

tempdef: A modification of Carr-Purcell RF pulse sequence with 90° phase shift in the rotating frame of reference between the 90° pulse and the subsequent 180° pulses to reduce accumulating effects of imperfections in the 180° pulses. Suppression of effects of pulse error accumulation can alternatively be achieved by alternating phases of the 180° pulses by 180°. defprov: Daniel Schober synonym: 1D_CPMG

has super-classes: pulse_sequence^c

one_dimensional_diffusion_edited^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400172

defneed synonym: 1D diffusion edited

has super-classes: pulse_sequence^c

one_dimensional_free_induction_decay^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400159

def: Having been excited by the RF pulse, the nuclei turn back ("relax") to their initial state ( the initial equilibrium population) within usually several seconds when the induced magnetization decays. Since the precession of the nuclei is free and due to the decay of the induced magnetization the whole process is termed Free Induction Decay (FID). Usually, several FIDs are co-added in order to improve the signal-to-noise ratio of a spectrum. The summed up FID is then once subjected to a mathematical operation (Fourier transform) which results in an NMR spectrum. synonym: 1D_FID

has super-classes: cardinal_part_of_NMR_data_set^c

one_dimensional_NMR_acquisition_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400165

defneed synonym: 1D NMR acquisition parameter set

has super-classes: NMR_instrument_acquisition_parameter_set^c

one_dimensional_NMR_configuration^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400163

Current version:: TODO: Definition depends on sprcls.

tempdef: The process of configuring an NMR instrument for 1D NMR analysis. defprov: Daniel Schober synonym: 1D NMR configuration

has super-classes: NMR_instrument_configuration^c

one_dimensional_spectrum^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400161

defneed synonym: 1D spectrum

has super-classes: NMR_spectrum^c

optional_part_of_NMR_instrument^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400001

Current version:: TODO: Discuss "obligatory_part_of".

def: Part of an NMR instrument which is not cardinally important and hence optional / facultative for the proper intended function of the instrument. synonym: optional part of NMR instrument clsdel: ontologically there is no such universal which characteristic is a possible (!) state of being a part of something...

has super-classes: o b i 47^c

Paravision^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400218

has super-classes: Bruker_NMR_software^c

peak-picked_spectrum^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400010

Current version:: TODO: has spectral post processing parameter.

defneed

has super-classes: NMR_spectrum^c

peak_picking^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400137

defneed

has super-classes: spectrum_post-processing^c

polynomial_fitting^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400111

defneed

has super-classes: post-acquisition_water_suppression_method^c

post-acquisition_water_suppression_method^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400108

tempdef: A data processing technique used to suppress the water peak in a spectrum in order to get clearer results. defprov: Daniel Schober

has super-classes: water_suppression_method^c
has sub-classes: WaveWat^c, convolution^c, hankel_singular_value_decomposition^c, polynomial_fitting^c

post-processing_algorithm^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400004

def: An algorithm for achieving a post-processed spectrum.

has super-classes: algorithm^c

pre-processing_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400113

defneed

has super-classes: NMR_parameter_set^c
has sub-classes: NMR_data_pre-processing_parameter_set^c, NMR_data_pre-processing_parameter_set_by_dimension^c

presat^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400140

defneed synonym: presaturation

has super-classes: water_suppression_method^c

processing_parameter_set_file_reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400123

def: A reference to a file of data pre-processing parameters produced by the machine.

has super-classes: file_reference^c

projected_spectrum^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400008

tempdef: The data matrix a spectrum consists of can be projected from a higher dimension onto a lower dimension, e.g. a 3D NMR spectrum can be converted (projected) into a 2D NMR spectrum. defprov: Daniel Schober

has super-classes: NMR_spectrum^c

projection_axis^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400020

def: The axis onto which the spectrum was projected.

has super-classes: o b i 3^c

projection_method^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400075

A method of spectral projection.

has super-classes: encoding_method^c
has sub-classes: G_matrix_fourier_transform_projection^c, maximum_intensity_projection^c, summation_projection^c

pulse_sequence^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400037

def: A sequence of excitation pulses.

has super-classes: NMR_data_set^c
has sub-classes: one_dimensional^c, one_dimensional_carr_purcell_meiboom_gill^c, one_dimensional_diffusion_edited^c, two_dimensional_J-resolved^c, two_dimensional_hadamard_total_correlation_spectroscopy^c, two_dimensional_total_correlation_spectroscopy^c

pulse_sequence_file_reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400122

def: A reference to a file containing a specification of a pulse sequence.

has super-classes: file_reference^c

pulse_sequence_literature_reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400120

def: A reference to a description of a pulse sequence in the literature.

has super-classes: reference^c

quality_check^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400182

tempdef: A quality check is a quality control method, which is applied to data after they have been processed. It is applied to get information about the quality of the data processing methods. defprov: Daniel Schober

has super-classes: quality_control_method^c
has sub-classes: NMR_quality_check^c

quality_check_compound_signal^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400034

def: The compound that produced a peak that is measured to assess the quality of a data set.

has super-classes: role^c

quality_check_peak_feature^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400086

def: A feature of a peak that is measured to assess the quality of a data set.

has super-classes: o b i 20^c

quality_check_result^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400181

tempdef: A quality check result is the usefull outcome of a quality check. defprov: Daniel Schober

has super-classes: ?result^c
has sub-classes: NMR_quality_check_result^c

quality_control_method^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400115

tempdef: A quality control method is a method, which is applied to ensure or to verify for a good quality outcome. defprov: Daniel Schober

has super-classes: method^c
has sub-classes: quality_check^c

quantum_momentum_field_gradient^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400050

tempdef: Quantum Moment/Field Gradient interaction or relaxation mechanism. defprov: Daniel Schober synonym: QF

has super-classes: encoding_method^c

radon_encoding^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400055

defneed

has super-classes: encoding_method^c

reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400117

def: A reference is a label which refers to data elsewhere, as opposed to containing the data itself. Accessing the value that a reference refers to is called dereferencing it. References are fundamental in constructing many data structures and in exchanging information between different parts of programs and databases.

has super-classes: o b i 3^c
has sub-classes: NMR_sample_reference^c, file_reference^c, literature_reference^c, pulse_sequence_literature_reference^c

relaxation_delay^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400090

def: The delay between repeat scans to allow nuclei to relax back to their steady state.

has super-classes: o b i 20^c

sample^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400127

tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. defprov: Daniel Schober

has super-classes: role^c
has sub-classes: NMR_sample^c

sample_introduction_method^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400065

def: A method of introduction of an NMR sample to an NMR instrument.

has super-classes: method^c

sample_introduction_parameter^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400129

tempdef: A sample introduction parameter is a parameter that describes the particular method of introducing the sample under investigation into the nmr instrument.

has super-classes: o b i 20^c
has sub-classes: flow_probe^c, magic_angle_spinning_rotor^c

sample_temperature^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400262

def: In some cases, it is necessary or advisable to control the temperature of the sample at some value other than ambient. The sample may be only slightly solubility at room temperatures, or it may be desirable to control some aspect of the dynamics of the system. In such cases, a default temperature, or some means of selecting this parameter, can be built into the experiment.

has super-classes: o b i 3^c
has sub-classes: sample_temperature_in_autosampler^c, sample_temperature_in_magnet^c

sample_temperature_in_autosampler^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400024

def: The temperature of an item of analysis material whilst in an autosampler.

has super-classes: sample_temperature^c

sample_temperature_in_magnet^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400025

def: The temperature of an NMR sample whilst in the magnet of an NMR instrument.

has super-classes: sample_temperature^c

SampleJet^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400208

def: Bruker BioSpin introduces the SampleJet, a robot for NMR tube automation. The SampleJet has been consciously designed to meet the growing customer demand for simplicity, versatility and higher throughput in NMR sample tube automation. The SampleJet utilizes the modern-day industry standard for sample arrangements—the 96 well plate array. Therefore, the samples may be handled by standard lab automation devices before or after the NMR measurement. defprov: Bruker website

has super-classes: Bruker_autosampler^c

SampleRail^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400207

def: This system automatically prepares an NMR sample, inserts it into an NMR magnet, performs NMR experiments on the sample, and transports it back to the preparation system. The SampleRail fulfills the transporting tasks from the preparation system into the NMR magnet and back defprov: website

has super-classes: o b i 47^c

SampleTrack^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400217

has super-classes: Bruker_NMR_software^c

shaped_pulse_file_reference^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400121

def: A reference to a file containing a specfication of the shape of an excitation pulse.

has super-classes: file_reference^c

shifted_bell^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400099

defneed synonym: sb

has super-classes: window_function_parameter^c

shifted_sine_bell^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400100

tenpdef: A function used to multiply a FID by to produce a desired amount of line broadening and spectral resolution. defprov: Daniel Schober synonym: ssb

has super-classes: window_function_parameter^c

sine^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400071

defneed

has super-classes: window_function_method^c

sine_squared^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400072

defneed

has super-classes: window_function_method^c

solid_magic_angle_spinning_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400193

def: Magic angle spinning, nowadays a routine technique for solids NMR, still offers the capability of innovation. The high mechanical performance of MAS probes in conjunction with efficient rf pulse techniques open new exciting fields in solids NMR of biological samples and in the field of quadrupolar nuclei. defprov: Bruker website synonym: solid_MAS_probe

has super-classes: Bruker_NMR_probe^c

solid_NMR_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400243

defneed

has super-classes: NMR_probe^c
has sub-classes: tecmag_EAGLE_probe^c

spectral_denoising^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400073

def: A method for eliminating or reducing the noise in a spectrum.

has super-classes: data_transformation^c

spectrum_post-processing^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400136

defneed

has super-classes: data_transformation^c
has sub-classes: bucketing^c, peak_picking^c

spectrum_post-processing_software^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400135

def: A software artifact used during spectral post-processing.

has super-classes: o b i 10^c

spinning_rate^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400028

def: The rate at which an item of analysis material is spun.

has super-classes: o b i 3^c

states^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400052

defneed

has super-classes: encoding_method^c

states-time_proportional_phase incrementation^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400053

def: A method for quadrature detection. synonym: S-TPPI

has super-classes: encoding_method^c

summation_projection^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400077

def: .A projection method that sums the intensities of a pre-processed 2D J-resolved NMR spectrum to obtain a projected spectrum. altdef: The adding of spectra together to produce a composite avergaed spectrum.

has super-classes: projection_method^c

symmetrise^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400081

defneed

has super-classes: data_transformation^c

tecmag^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400260

has super-classes: NMR_vendor^c

tecmag_console^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400246

has super-classes: console^c
has sub-classes: APOLLO^c, DISCOVERY^c

tecmag_EAGLE_probe^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400248

def: The Eagle™ is a 4 mm 1H/X solid-state MAS probe with a top spinning speed of 18 kHz. Its simple design is robust, reliable and easy to spin. Configurations are available for 200 to 600 MHz widebore magnets on Tecmag, Bruker, Chemagnetics, JEOL and Varian spectrometers. defprov: website

has super-classes: solid_NMR_probe^c

tecmag_NMR_instrument^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400250

has super-classes: NMR_instrument^c
has sub-classes: CAT^c

tilt^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400085

defneed

has super-classes: o b i 20^c

time_proportional_phase incrementation^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400051

defneed synonym: TPPI

has super-classes: encoding_method^c

TopSpin_1.3^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400215

has super-classes: Bruker_NMR_software^c

tube^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400132

tempdef: The sample-tube holds the nmr sample and sits in the nmr probe. It is usually a glass tube of 5-20mm diameter.

has super-classes: cardinal_part_of_NMR_instrument^c

two_dimensional_free_induction_decay^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400160

has super-classes: cardinal_part_of_NMR_data_set^c

two_dimensional_hadamard_total_correlation_spectroscopy^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400171

defneed synonym: 2D_hadamard_TOCSY

has super-classes: pulse_sequence^c

two_dimensional_J-resolved^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400170

tempdef: In one dimensional NMR, as the multiplets from different chemically shifted nuclei overlap, spectral assignments become too difficult. In order to resolve the chemical shift and spin-spin coupling parameters along the different axis, 2D and 3D J-resolved NMR spectroscopies are used. defprov: Daniel Schober synonym: 2D J-resolved

has super-classes: pulse_sequence^c

two_dimensional_NMR_acquisition_parameter_set^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400166

defneed synonym: 2D NMR acquisition parameter set

has super-classes: NMR_instrument_acquisition_parameter_set^c

two_dimensional_NMR_configuration^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400164

Current version:: TODO: depends on superclass view.

tempdef: The process of configuring an NMR instrument for 2D NMR analysis. defprov: Daniel Schober synonym: 2D NMR configuration

has super-classes: NMR_instrument_configuration^c

two_dimensional_spectrum^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400162

defneed synonym: 2D spectrum

has super-classes: NMR_spectrum^c

two_dimensional_total_correlation_spectroscopy^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400168

tempdef: Total Correlation Spectroscopy. A 2D homonuclear correlation experiment used to analyse scalar (J) coupling networks between protons. TOCSY is able to relay magnetisation between spins, A-B-C-D.., and can therefore show correlations amongst spins that are not directly coupled (eg A-C and A-D) but exist within the same spin system. defprov: Daniel Schober synonym:2D_TOCSY

has super-classes: pulse_sequence^c

UltraShield^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400187

defneed

has super-classes: Bruker_NMR_magnet^c

UltraShield_Plus^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400190

has super-classes: Bruker_NMR_magnet^c

Ultrastabilized^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400188

has super-classes: Bruker_NMR_magnet^c

UNITY^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400237

has super-classes: Varian_NMR_instrument^c

US_2^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400189

Current version:: ??? How to model "hoch 2"?

has super-classes: Bruker_NMR_magnet^c

Varian^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400257

has super-classes: NMR_vendor^c

Varian_NMR_instrument^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400234

has super-classes: NMR_instrument^c
has sub-classes: GEMINI^c, INOVA^c, MERCURY^c, UNITY^c, VXR^c

vendor^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400254

Current version:: TODO: Belongs in Ref Ontol.

defneed

has super-classes: o b i 3^c
has sub-classes: NMR_vendor^c

VXR^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400238

has super-classes: Varian_NMR_instrument^c

water_suppression_enhanced_through_T1_effects^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400141

tempdef: An improved water-suppression technique called WET (water suppression enhanced through T1 effects), developed from a Bloch equation analysis of the longitudinal magnetization over the T1 and B1 ranges of interest, achieves T1- and B1-insensitive suppression with four RF pulses, each having a numerically optimized flip angle. Once flip angles have been optimized for a given sequence, time-consuming flip-angle adjustments during clinical examinations are eliminated. defprov: Daniel Schober synonym: WET

has super-classes: water_suppression_method^c

water_suppression_method^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400066

tempdef: A technique used to suppress the water peak in a spectrum. Suppression of the strong solvent signal is necessary in order to obtain high signal to noise for the peaks of the sample under investiogation, e.g. protein peaks. defprov: Daniel Schober

has super-classes: method^c
has sub-classes: coherence_pathway_rejection^c, excitation_sculpting^c, jump_and_return^c, nuclear_overhauser_and_exchange_spectroscopy-presat^c, post-acquisition_water_suppression_method^c, presat^c, water_suppression_enhanced_through_T1_effects^c, watergate^c

water_suppression_parameter^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400139

defneed

has super-classes: o b i 20^c

watergate^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400143

defneed

has super-classes: water_suppression_method^c
has sub-classes: flip-back_watergate^c

WaveWat^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400112

def: A computational method that archieves water suppression via wavlet multi resolution analysis.

has super-classes: post-acquisition_water_suppression_method^c

Wilmad^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400265

has super-classes: NMR_vendor^c

window_function_method^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400068

def: A function applied to a FID to increase the signal-to-noise ratio or the resolution.

has super-classes: method^c
has sub-classes: exponential_multiplication^c, gaussian_broadening^c, sine^c, sine_squared^c

window_function_parameter^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400096

def: A parameter to a window function.

has super-classes: o b i 20^c
has sub-classes: line_broadening^c, line_sharpening^c, shifted_bell^c, shifted_sine_bell^c

x-axis_unit^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400091

def: The units of measure for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. altdef: The units used to represent either time domain (for a FID) or the frequency domain (for a spectrum).

has super-classes: o b i 20^c

x_end_value^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400095

tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum.

has super-classes: o b i 20^c

x_start_value^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400094

def: The starting value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. altdef: The initial time or frequency a FID or spectrum is recorded from.

has super-classes: o b i 20^c

y-axis_unit^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400092

defneed

has super-classes: o b i 20^c

zero_order_phase_correction^c back to ToC or Class ToC

IRI: http://msi-ontology.sourceforge.net/ontology/NMR.owl#NMR_400079

def: A parameter used to mix real and imaginary part of an NMR spectrum that the real part of the spectrum is in pure absorption mode. altdef: The number of degrees that a central peak must be moved in order to achieve an absorptive mode line width.

has super-classes: data_transformation^c

This HTML document was obtained by processing the OWL ontology source code through LODE, Live OWL Documentation Environment, developed by Silvio Peroni.

NMR-instrument specific component of metabolomics investigations

Abstract

Table of Content

Introduction

Classes

11Bc back to ToC or Class ToC

13Cc back to ToC or Class ToC

15Nc back to ToC or Class ToC

17Oc back to ToC or Class ToC

19Fc back to ToC or Class ToC

1Hc back to ToC or Class ToC

1mm_MicroProbec back to ToC or Class ToC

29Sic back to ToC or Class ToC

2Hc back to ToC or Class ToC

31Pc back to ToC or Class ToC

?resultc back to ToC or Class ToC

ACc back to ToC or Class ToC

Acorn_NMR_Incc back to ToC or Class ToC

acquisition_computerc back to ToC or Class ToC

acquisition_nucleusc back to ToC or Class ToC

acquisition_parameter_set_file_referencec back to ToC or Class ToC

additional_axis_unitc back to ToC or Class ToC

algorithmc back to ToC or Class ToC

AMIX_VIEWER_&_AMIX-TOOLSc back to ToC or Class ToC

AMXc back to ToC or Class ToC

analysisc back to ToC or Class ToC

APOLLOc back to ToC or Class ToC

atom_environment_encodingc back to ToC or Class ToC

AURELIAc back to ToC or Class ToC

AUREMOLc back to ToC or Class ToC

autosamplerc back to ToC or Class ToC

AVANCE_II_spectrometerc back to ToC or Class ToC

B-ACSc back to ToC or Class ToC

baseline_correctionc back to ToC or Class ToC

Brukerc back to ToC or Class ToC

Bruker_AutoCleanc back to ToC or Class ToC

Bruker_autosamplerc back to ToC or Class ToC

Bruker_BEST_NMRc back to ToC or Class ToC

Bruker_MATCHc back to ToC or Class ToC

Bruker_NMR_instrumentc back to ToC or Class ToC

Bruker_NMR_magnetc back to ToC or Class ToC

Bruker_NMR_probec back to ToC or Class ToC

Bruker_NMR_softwarec back to ToC or Class ToC

bucketed_spectrumc back to ToC or Class ToC

bucketingc back to ToC or Class ToC

bufferc back to ToC or Class ToC

calibration_compoundc back to ToC or Class ToC

calibration_reference_shiftc back to ToC or Class ToC

Capillary_LC-NMRc back to ToC or Class ToC

CapNMR_Probec back to ToC or Class ToC

cardinal_part_of_NMR_data_setc back to ToC or Class ToC

cardinal_part_of_NMR_instrumentc back to ToC or Class ToC

CATc back to ToC or Class ToC

chemical_compoundc back to ToC or Class ToC

chemical_shift_standardc back to ToC or Class ToC

coherence_pathway_rejectionc back to ToC or Class ToC

complex_datatypec back to ToC or Class ToC

concentrationc back to ToC or Class ToC

consolec back to ToC or Class ToC

convolutionc back to ToC or Class ToC

CryoProbec back to ToC or Class ToC

data_post-processingc back to ToC or Class ToC

data_pre-processingc back to ToC or Class ToC

data_pre-processing_softwarec back to ToC or Class ToC

data_processing_methodc back to ToC or Class ToC

data_transformationc back to ToC or Class ToC

decoupled_nucleusc back to ToC or Class ToC

Deltac back to ToC or Class ToC

DISCOVERYc back to ToC or Class ToC

Doty_Scientificc back to ToC or Class ToC

dwell_timec back to ToC or Class ToC

ECAc back to ToC or Class ToC

echo_anti-echoc back to ToC or Class ToC

ECXc back to ToC or Class ToC

encoding_methodc back to ToC or Class ToC

excitation_sculptingc back to ToC or Class ToC

exponential_multiplicationc back to ToC or Class ToC

field_strengthc back to ToC or Class ToC

file_referencec back to ToC or Class ToC

first_order_phase_correctionc back to ToC or Class ToC

11B^c back to ToC or Class ToC

13C^c back to ToC or Class ToC

15N^c back to ToC or Class ToC

17O^c back to ToC or Class ToC

19F^c back to ToC or Class ToC

1H^c back to ToC or Class ToC

1mm_MicroProbe^c back to ToC or Class ToC

29Si^c back to ToC or Class ToC

2H^c back to ToC or Class ToC

31P^c back to ToC or Class ToC

?result^c back to ToC or Class ToC

AC^c back to ToC or Class ToC

Acorn_NMR_Inc^c back to ToC or Class ToC

acquisition_computer^c back to ToC or Class ToC

acquisition_nucleus^c back to ToC or Class ToC

acquisition_parameter_set_file_reference^c back to ToC or Class ToC

additional_axis_unit^c back to ToC or Class ToC

algorithm^c back to ToC or Class ToC

AMIX_VIEWER_&_AMIX-TOOLS^c back to ToC or Class ToC

AMX^c back to ToC or Class ToC

analysis^c back to ToC or Class ToC

APOLLO^c back to ToC or Class ToC

atom_environment_encoding^c back to ToC or Class ToC

AURELIA^c back to ToC or Class ToC

AUREMOL^c back to ToC or Class ToC

autosampler^c back to ToC or Class ToC

AVANCE_II_spectrometer^c back to ToC or Class ToC

B-ACS^c back to ToC or Class ToC

baseline_correction^c back to ToC or Class ToC

Bruker^c back to ToC or Class ToC

Bruker_AutoClean^c back to ToC or Class ToC

Bruker_autosampler^c back to ToC or Class ToC

Bruker_BEST_NMR^c back to ToC or Class ToC

Bruker_MATCH^c back to ToC or Class ToC

Bruker_NMR_instrument^c back to ToC or Class ToC

Bruker_NMR_magnet^c back to ToC or Class ToC

Bruker_NMR_probe^c back to ToC or Class ToC

Bruker_NMR_software^c back to ToC or Class ToC

bucketed_spectrum^c back to ToC or Class ToC

bucketing^c back to ToC or Class ToC

buffer^c back to ToC or Class ToC

calibration_compound^c back to ToC or Class ToC

calibration_reference_shift^c back to ToC or Class ToC

Capillary_LC-NMR^c back to ToC or Class ToC

CapNMR_Probe^c back to ToC or Class ToC

cardinal_part_of_NMR_data_set^c back to ToC or Class ToC

cardinal_part_of_NMR_instrument^c back to ToC or Class ToC

CAT^c back to ToC or Class ToC

chemical_compound^c back to ToC or Class ToC

chemical_shift_standard^c back to ToC or Class ToC

coherence_pathway_rejection^c back to ToC or Class ToC

complex_datatype^c back to ToC or Class ToC

concentration^c back to ToC or Class ToC

console^c back to ToC or Class ToC

convolution^c back to ToC or Class ToC

CryoProbe^c back to ToC or Class ToC

data_post-processing^c back to ToC or Class ToC

data_pre-processing^c back to ToC or Class ToC

data_pre-processing_software^c back to ToC or Class ToC

data_processing_method^c back to ToC or Class ToC

data_transformation^c back to ToC or Class ToC

decoupled_nucleus^c back to ToC or Class ToC

Delta^c back to ToC or Class ToC

DISCOVERY^c back to ToC or Class ToC

Doty_Scientific^c back to ToC or Class ToC

dwell_time^c back to ToC or Class ToC

ECA^c back to ToC or Class ToC

echo_anti-echo^c back to ToC or Class ToC

ECX^c back to ToC or Class ToC

encoding_method^c back to ToC or Class ToC

excitation_sculpting^c back to ToC or Class ToC

exponential_multiplication^c back to ToC or Class ToC

field_strength^c back to ToC or Class ToC

file_reference^c back to ToC or Class ToC

first_order_phase_correction^c back to ToC or Class ToC

flip-back_watergate^c back to ToC or Class ToC

flow_high_resolution_probe^c back to ToC or Class ToC

flow_probe^c back to ToC or Class ToC

fourier_transformation^c back to ToC or Class ToC

free_induction_decay_file_reference^c back to ToC or Class ToC