scholarly journals GUIA PARA PROCESSAMENTO DE DADOS DE CROMATOGRAFIA ACOPLADA A ESPECTROMETRIA DE MASSAS

Química Nova ◽  
2021 ◽  
Author(s):  
Ricardo Borges ◽  
João Resende ◽  
Aldebaran Moraes ◽  
Alana Pereira ◽  
Rafael Garrett ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Open Access ◽  
Data Processing ◽  
Study Design ◽  
Mass Spectrometry Data ◽  
Raw Data ◽  
Processing Step ◽  
Feature List

GUIDE FOR CHROMATOGRAPHY COUPLED TO MASS SPECTROMETRY DATA PROCESSING. In this work, a discussed and step-wise tutorial for LC-MS and GC-MS data processing using the open-access software MZMine2 is presented and discussed. The rationale behind each step was demonstrated to enable the readers to go through their own data and process it accordingly. The main lesson to be learned is that each parameter must be chosen in light of the raw data and no guidelines should suggest a predetermined value. Still, it is worth mentioning that ideal values for each parameter do not exist, and that the user might end up investing too much time futilely optimizing values. Our suggestion is to process your data in light of the raw data (and the study design) following the preview figure result and the resulting feature list generated in each processing step, interpret your data, and go back to process it again to tune the detection of important features.

Mass Spectrometry Data Processing

Metabolomics ◽  
2019 ◽  
pp. 73-99
Author(s):  
Steffen Neumann ◽  
Oscar Yanes ◽  
Roland Mumm ◽  
Pietro Franceschi
Keyword(s):  
Mass Spectrometry ◽  
Data Processing ◽  
Mass Spectrometry Data

scholarly journals MzJava: An open source library for mass spectrometry data processing

2015 ◽  
Vol 129 ◽  
pp. 63-70 ◽  
Author(s):  
Oliver Horlacher ◽  
Frederic Nikitin ◽  
Davide Alocci ◽  
Julien Mariethoz ◽  
Markus Müller ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Data Processing ◽  
Open Source ◽  
Mass Spectrometry Data

scholarly journals Recommendations for Mass Spectrometry Data Quality Metrics for Open Access Data (Corollary to the Amsterdam Principles)

2011 ◽  
Vol 11 (2) ◽  
pp. 1412-1419 ◽  
Author(s):  
Christopher R. Kinsinger ◽  
James Apffel ◽  
Mark Baker ◽  
Xiaopeng Bian ◽  
Christoph H. Borchers ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Open Access ◽  
Data Quality ◽  
Quality Metrics ◽  
Mass Spectrometry Data ◽  
Open Access Data ◽  
Data Quality Metrics ◽  
Access Data

scholarly journals Web Scraping Scientific Repositories for Augmented Relevant Literature Search Using CRISP-DM

2019 ◽  
Vol 2 (4) ◽  
pp. 37
Author(s):  
Hossam El-Din Hassanien
Keyword(s):  
Open Access ◽  
Data Processing ◽  
Literature Search ◽  
Relevant Literature ◽  
Data Access ◽  
Analysis Process ◽  
Web Scraping ◽  
Processing Step ◽  
Structured Information ◽  
Almost All

Scientific web repositories are central cyber locations where academic papers are stored and maintained. With the nature of the unstructured and semi-structured information/metadata within these repositories, literature analysis for scholar writing becomes a challenge. Correspondingly, applying CRISP-DM poses a stance to address this challenge through formulating a rather augmented process for a relevant literature search. However, almost all repositories do not have a straight forward method where metadata could be extracted for preliminary data processing being applied as part of the CRISP-DM process. Additionally, most repositories do not follow open access standards. Until the time this paper was published, the topic of the augmented, relevant literature search had seen a methodological progress only, with the inability to apply the underlying methods on a larger scale, given data access constraints to open access repositories. The aim of this paper is to propose CRISP-DM as an augmented research methodology with a focus on web scraping as part of the data processing step. To substantiate the proposed methodology, a play role case study is conducted. This then works on alleviating these restrictions, as well as encouraging the wider adoption of the augmented analysis process for a relevant literature search within the research community.

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