MassIVE MSV000086631

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GNPS Retrospective Non-target Analysis to Support Regulatory Water Monitoring of Swiss Wastewater

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Description

Paper title: Retrospective Non-target Analysis to Support Regulatory Water Monitoring: from Masses of Interest to Recommendations via in silico workflows Author List: Adelene Lai, Randolph R. Singh, Lubomira Kovalova, Oliver Jaeggi, Todor Kondic, Emma L. Schymanski Brief description of the data submitted: Processed spectrum files in mzML format of Swiss wastewater samples measured using liquid-chromatography high-resolution tandem mass spectrometry (HR-MS/MS). Retrospective non-target analyses were performed on these data to tentatively identify chemical unknowns prioritised in regulatory monitoring. [doi:10.25345/C5CZ0K] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: wastewater ; wastewater effluent

Contact

Principal Investigators:
(in alphabetical order) 		Emma Schymanski, Luxembourg Centre for Systems Biomedicine, Luxembourg
Submitting User: adelenelai
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Experimental Design
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Identification Results
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Quantification Results
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GNPS content goes here (MSV000086631 [task=14f51e6ec99a42329e7a0eeaad0e5824])
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Number of distinct conditions across all analyses (original submission and reanalyses) associated with this dataset.

Distinct condition labels are counted across all files submitted in the "Metadata" category having a "Condition" column in this dataset.

"N/A" means no results of this type were submitted.
Number of distinct biological replicates across all analyses (original submission and reanalyses) associated with this dataset.

Distinct replicate labels are counted across all files submitted in the "Metadata" category having a "BioReplicate" or "Replicate" column in this dataset.

"N/A" means no results of this type were submitted.
Number of distinct technical replicates across all analyses (original submission and reanalyses) associated with this dataset.

The technical replicate count is defined as the maximum number of times any one distinct combination of condition and biological replicate was analyzed across all files submitted in the "Metadata" category. In the case of fractionated experiments, only the first fraction is considered.

"N/A" means no results of this type were submitted.
Originally identified proteins that were automatically remapped by MassIVE to proteins in the SwissProt human reference database.

"N/A" means no results of this type were submitted.
Number of distinct protein accessions reported across all analyses (original submission and reanalyses) associated with this dataset.

"N/A" means no results of this type were submitted.
Number of distinct unmodified peptide sequences reported across all analyses (original submission and reanalyses) associated with this dataset.

"N/A" means no results of this type were submitted.
Number of distinct peptide sequences (including modified variants or peptidoforms) reported across all analyses (original submission and reanalyses) associated with this dataset.

"N/A" means no results of this type were submitted.
Total number of peptide-spectrum matches (i.e. spectrum identifications) reported across all analyses (original submission and reanalyses) associated with this dataset.

"N/A" means no results of this type were submitted.
Number of distinct proteins quantified across all analyses (original submission and reanalyses) associated with this dataset.

Distinct protein accessions are counted across all files submitted in the "Statistical Analysis of Quantified Analytes" category having a "Protein" column in this dataset.

"N/A" means no results of this type were submitted.
Number of distinct proteins found to be differentially abundant in at least one comparison across all analyses (original submission and reanalyses) associated with this dataset.

A protein is differentially abundant if its change in abundance across conditions is found to be statistically significant with an adjusted p-value <= 0.05 and lists no issues associated with statistical tests for differential abundance.

Distinct protein accessions are counted across all files submitted in the "Statistical Analysis of Quantified Analytes" category having a "Protein" column in this dataset.

"N/A" means no results of this type were submitted.
This dataset may not contain all raw spectra data as originally deposited in PRIDE. It has been imported to MassIVE for reanalysis purposes, so its spectra data here may consist solely of processed peak lists suitable for reanalysis with most software.