Mass spectral analysis data
Spatial Mass Spectral Data Analysis Using Factor and Correlation Models
... One of the drawbacks of NMF algorithms is that the iterative procedure leads to considerable computational complexity and hence obstructs convergence. Therefore, instead of using the PCA or the ground truth of the ...
157
Derivative component analysis for mass spectral serum proteomic profiles
... multi-class data respectively [30]. Since serum proteomics data usually follow or approximately follow a normal distribution after normalization, it is reasonable to use a two-sample t-test to rank each ...
14
A Multi-feature Reproducibility Assessment of Mass Spectral Data in Clinical Proteomic Studies
... LC-MS/MS analysis, a depletion process was used to exclude the twelve most highly abundant ...component analysis was performed on the quantities of the 28 proteins found in all four ...
8
GlySpy: A software suite for assigning glycan topologies from sequential mass spectral data
... structural analysis currently performed manually. GlySpy uses data derived from sequential mass spectrometry (MSn), in which a precursor molecule is fragmented to form products, each o f which may ...
276
Quantitative analysis of secondary organic aerosol using a high-resolution mass spectral database
... such data using HCA, is that it presents a very clear and simple dendrogram for easy interpretation, however, since this is based on the logical distances between clusters, the data may not, in actuality, ...
289
Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries
... Metabolites 2019, 9, 3 12 of 15 positive identifications and the number of negative identifications were counted and used to calculate the statistical parameters sensitivity (= true positive rate) and specificity (= ...
15
Analysis of Mass Spectrometry data: Significance Analysis of Microarrays for SELDI-MS Data in Proteomics
... first data, Ovarian Dataset 4-3-02,includes 100 unaffected women (controls) and 100 patients who later developed ovarian ...second data set, Ovarian Dataset 8- 7-02 consists of serum profiles of 162 ...
8
Fast Gas Chromatography & Mass Spectrometer Data Analysis
... background spectral interferences, can provide unambiguous identifica- tion of organic compounds in complex ...environmental analysis by GC/MS was expensive and cost as much as ...same analysis today ...
12
Context-based analysis of mass spectrometry proteomics data
... for spectral searches via sequence databases are challenging for DIA data [58, 59] due to the ambiguity of m/z values in com- plex peptide ...on spectral libraries, also considering fragment ion ...
148
Spectral probabilities of top-down tandem mass spectra
... EC data set. ProSightPC provides several search modes for top- down spectral identification, including the absolute mass mode and the biomarker ...EC data set were generated from truncated ...
9
H NMR, 13 C NMR and mass spectral data. All the synthesized compounds were screened for
... We are grateful to the management of SeQuent Scientific Ltd., New Mangalore. The authors are also thankful to Prof. A. Srikrishna, Department of Organic Chemistry, IISc, Bangalore for providing 1 H NMR and 13 C NMR ...
9
Isotope pattern vector based tandem mass spectral data calibration for improved peptide and protein identification
... issue, spectral data analysis is also confronted by the systematic measurement ...the spectral measurement error using the difference between the measured mass and the theoretical ...
9
Boosting Applied to Classification of Mass Spectral Data
... 2 Hong Kong Baptist University and 3 Sichuan University Abstract: Boosting is a machine learning algorithm that is not well known in chemometrics. We apply boosting tree to the classification of mass ...
14
H NMR, 13 C NMR and mass spectral data. The
... CONCLUSION Several 3 - a c e t y l - 2,5-disubstituted-[1,3,4]-oxadaiazoles derived from 2- (aryloxymethyl)benzoic acids have been successfully synthesized in 60-70% yields and are characterized by 1 H NMR, 13 C NMR, ...
11
Application of spectral methods in economic data analysis
... This approach may arise because a priori information is most easily expressed in frequency terms or it may be that greater insight results from using spectral me[r] ...
251
Spectral-Feature-Based Analysis of Reflectance and Emission Spectral Libraries and Imaging Spectrometer Data
... of spectral-feature-based analysis to identifying and mapping Earth-surface materials using spectral libraries and imaging spectrometer ...for analysis of both reflectance and emissivity ...
11
Investigation of the Use of Spectral Clustering for the Analysis of Molecular Data
... the spectral clustering method proposed by Brewer 16 and performed a systematic investigation into the appropriate parameter values required for the optimum performance of the ...
19
Statistical Learning for the Spectral Analysis of Time Series Data
... series data as a penalized reduced-rank regression ...the data which may get lost when the power spectrum is considered as a ...HRV analysis, dynamics captured in the third layer were difficult to ...
94
Visualization and Analysis of Spectral Data Cubes an Hipe toolbox
... - CASSIS (Emanuel Caux et al.) - … Cube Toolbox Spectral Cube (SimpleCube) From spire to spectral cube 1D Spectrum (2D) Spire product SPIRE pipeline HIFI pipeline From HIFI to spect[r] ...
16
Latent Variable Models with Applications to Spectral Data Analysis
... The proposed approaches include hybrid models of PCR and PLS and the fusion approach of RDA and PCA built on the generalized definition of latent variable models. They have much in common in that both of them consist of ...
64