相关论文: Mass spectrometry analysis using MALDIquant
The web-based Go-Smart environment is a scalable system that allows the prediction of minimally invasive cancer treatment. Interventional radiologists create a patient-specific 3D model by semi-automatic segmentation and registration of…
Characterization of the electronic band structure of solid state materials is routinely performed using photoemission spectroscopy. Recent advancements in short-wavelength light sources and electron detectors give rise to multidimensional…
Crosslinking mass spectrometry (Crosslinking MS) has substantially matured as a method over the last two decades through parallel development in multiple labs, demonstrating its applicability for protein structure determination,…
Matrix element reweighting is a powerful experimental technique widely employed to maximize the amount of information that can be extracted from a collider data set. We present a procedure that allows to automatically evaluate the weights…
Mass spectrometry (MS) based single-cell proteomics (SCP) explores cellular heterogeneity by focusing on the functional effectors of the cells - proteins. However, extracting meaningful biological information from MS data is far from…
Evaluating the degree of malignancy of a massive lesion on the basis of the mere visual analysis of the mammogram is a non-trivial task. We developed a semi-automated system for massive-lesion characterization with the aim to support the…
Large-scale hypothesis testing has become a ubiquitous problem in high-dimensional statistical inference, with broad applications in various scienfitic disciplines. One relevant application is constituted by imaging mass spectrometry (IMS)…
The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or…
Multidimensional scaling (MDS) is a family of methods that embed a given set of points into a simple, usually flat, domain. The points are assumed to be sampled from some metric space, and the mapping attempts to preserve the distances…
The paper considers an inverse problem of reconstructing the spatially distributed complex dielectric permittivity function using backscattered data of the electric field in the frequency domain. We develop iterative algorithm for…
Accurate and efficient analysis of materials properties from Nuclear Magnetic Resonance (NMR) relaxation data requires robust and efficient inversion procedures. Despite the great variety of applications requiring to process two-dimensional…
SMART is a software package written in IDL to reduce and analyze Spitzer data from all four modules of the Infrared Spectrograph, including the peak-up arrays. The software is designed to make full use of the ancillary files generated in…
Data clustering has been widely used in data analysis and classification. In the present work, a method based on dynamic quantum clustering is proposed for the segmentation and analysis of brain tumor MRI. The results open the possibility…
Cancer is one of the leading causes of death worldwide, making the development of rapid, minimally invasive, label-free and scalable diagnostic strategies a major challenge in modern oncology. In this context, spectroscopic liquid biopsy…
With the current emphasis on reproducibility and replicability, there is an increasing need to examine how data analyses are conducted. In order to analyze the between researcher variability in data analysis choices as well as the aspects…
Machine learning-based classifiers are commonly evaluated by metrics like accuracy, but deeper analysis is required to understand their strengths and weaknesses. MLMC is a visual exploration tool that tackles the challenge of multi-label…
The R package optimall offers a collection of functions that efficiently streamline the design process of sampling in surveys ranging from simple to complex. The package's main functions allow users to interactively define and adjust strata…
In the new research and innovation (R&I) paradigm, aimed at a transformation towards more sustainable, inclusive and fair pathways to address societal and environmental challenges, and at generating new patterns of specialisation and new…
In recent years, interesting materials have emerged which are only available as micron-scale flakes, and whose novel physics might be better understood through broadband microwave spectroscopy; examples include twisted bilayer graphene [1],…
One of the significant steps in the process leading to the identification of proteins is mass spectrometry, which allows for obtaining information about the structure of proteins. Removing isotope peaks from the mass spectrum is vital and…