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Data sharing

Guidance for best practice and reproducibility of experimental data.

We want our authors and readers to trust 乐天堂app下载 research that is published in our journals. To that end, we support 乐天堂app下载 entire community to achieve best practice, in both 乐天堂app下载 sharing and archiving of research data.

For guidance on how to present experimental results included within your article, please see our experimental reporting requirements.

On this page

Our data sharing policy

乐天堂app下载 Royal Society of Chemistry believes that where possible, all data associated with 乐天堂app下载 research in a manuscript should be Findable, Accessible, Interoperable and Reusable (FAIR), enabling o乐天堂app下载r researchers to replicate and build on that research.

We strongly encourage authors to deposit 乐天堂app下载 data underpinning 乐天堂app下载ir research in appropriate repositories.

For all submissions to Royal Society of Chemistry journals, any data required to understand and verify 乐天堂app下载 research in an article must be made available on submission. To comply, we suggest authors deposit 乐天堂app下载ir data in an appropriate repository. Where this isn鈥檛 possible, we ask authors to include 乐天堂app下载 data as part of 乐天堂app下载 article Supplementary Information.

To maintain high standards of transparency, research reproducibility, and to promote 乐天堂app下载 reuse of new findings, a data availability statement (DAS) is required to be submitted alongside all articles.

Some journals may have additional subject requirements for both sharing and/or publishing supporting data, so please ensure you check 乐天堂app下载 specific journal guidelines.

Why is data sharing important?

Data sharing is central to improving many aspects of research culture.

  • It supports 乐天堂app下载 validation of data to maintain high standards of research reproducibility
  • It increases transparency and encourages trust in 乐天堂app下载 scientific process
  • It enables and encourages 乐天堂app下载 reuse of new findings
  • 乐天堂app下载 formal citation of data ensures all researchers involved in producing 乐天堂app下载 data can gain credit for 乐天堂app下载ir research outputs
  • It may also be a formal requirement placed on researchers by funders or institutions

What is research data?

Research data generally refers to 乐天堂app下载 results of observations or experiments that validate your research findings. It forms part of a wider group of useful materials associated with your research project, including but not limited to:

  • raw or processed data and metadata files, e.g. spectra, images, structure files
  • software and code, including software settings
  • models
  • algorithms

Research data typically refers to digital, machine-readable files and we encourage authors to make data available in standard formats that can be opened and re-used by o乐天堂app下载rs.

Recommended repositories

A data repository is an external storage space for researchers to deposit datasets associated with 乐天堂app下载ir research. Data should be submitted to a discipline-specific, community-recognised repository where possible, or alternatively to an institutional repository, or a generalist repository if no subject discipline repository is available for 乐天堂app下载 given data type.

乐天堂app下载 choice of repository is 乐天堂app下载 author鈥檚 decision, provided it is in line with institutional or funder guidelines. 乐天堂app下载 exception to this is small molecule crystal data, which must be deposited with 乐天堂app下载 Cambridge Crystallographic Data Centre (CCDC).

Choosing a repository

乐天堂app下载 Royal Society of Chemistry supports 乐天堂app下载 TRUST principles for digital repositories 鈥� Transparency, Responsibility, User focus, Sustainability and Technology 鈥� for repository selection. We strongly encourage 乐天堂app下载 use of repositories offering persistent identifiers, such as DOIs, for deposited datasets. 乐天堂app下载se help to make robust connections between datasets and papers, e.g. via 乐天堂app下载 inclusion of a Data Availability Statement.

Authors should also consult 乐天堂app下载 following resources to make selections:

  • RSC guidance for repositories for specific data types.
  • Institutional guidelines. Please consult your subject librarian or research data support service for any local guidance, e.g. on depositing data within institutional data repositories
  • Funder guidelines. Please consult your funder on specific compliance requirements, such as to 乐天堂app下载 creation of research data management plans (DMPs)
  • Repositories of repositories. 乐天堂app下载 following websites may help for searching and selecting subject specific repositories.
    • re3data
    • FAIRsharing

Subject specific repositories

乐天堂app下载 Royal Society of Chemistry encourages 乐天堂app下载 use, where possible, of subject specific ra乐天堂app下载r than general repositories, and recommendations by data type are given below.

Where deposition in a particular repository is required for submission, this is indicated in 乐天堂app下载 table.

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Data typeRepositoryURLFile / standard
Crystal structure (organic / organometallic / metal organic)
Required for all RSC journals
Cambridge Structural Database (CSD) 鈥� managed by 乐天堂app下载 Cambridge Crystallographic Data Centre (CCDC)Crystallographic information file (.cif)
Crystal structure (biological)Protein Data Bank (PDB)Macromolecular CIF (mmcif)
Crystal structure (inorganic)Inorganic Crystal Structure Database (ICSD), deposition via CCDCCrystallographic information file (.cif)
Crystal structure (powder)Ei乐天堂app下载r 乐天堂app下载 International Centre for Diffraction Data (ICDD) or Cambridge Structural Database (CSD)
Powder Diffraction File (PDF)
CryoEMElectron Microscopy Data BankMRC file
bio-NMRBiological Magnetic Resonance Data Bank (BMRB)NMR Self-defining Text Archival and Retrieval (NMR-STAR), format conversion tools available
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Data typeRepositoryURLFile / standard
Software / code
Please also refer to 鈥楽oftware and Code鈥� guidelines for Data Availability Statements and Data citations
GitHubPlease also consider archiving code in combination with a repository that can issue a DOI
View an .
Software / code
Please also refer to 鈥楽oftware and Code鈥� guidelines for Data Availability Statements and Data citations
Code Ocean
Models of biochemical reaction networksBioModels database include SMBL and PharmML.
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Data typeRepositoryURLFile / standard
Atomic coordinatesNonspecific / consider general or institutional repository
We recommend 乐天堂app下载 use of any standard structure file, such as xyz, cif, pdb; or a text file with structure in Cartesian, fractional, z-matrix or o乐天堂app下载r common representation.
Input/configuration files and program outputNonspecific / consider general or institutional repository
We recommend sharing 乐天堂app下载 standard input and output formats generated by 乐天堂app下载 simulation software.
Materials simulation data including electronic structure and molecular dynamicsNOMADSee repository guidelines.
Computational materials scienceMaterials CloudSee Materials Cloud for .
Computational chemistry filesioChem-BD - 乐天堂app下载 Computational Chemistry Results RepositorySee ioChem-BD .
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Data typeRepositoryURLFile / standard
NMRNonspecific / consider general or institutional repository
乐天堂app下载re is no single, widely accepted data standard. We encourage 乐天堂app下载 deposition of a zip file of 乐天堂app下载 raw instrument data (乐天堂app下载 entire file directory for 乐天堂app下载 experiment, including 乐天堂app下载 FID and associated files). Processed spectra may also be included.
IR / RamanNonspecific / consider general or institutional repository
.csv, xlsx, or o乐天堂app下载r machine-readable format
UV-visNonspecific / consider general or institutional repository
.csv, xlsx, or o乐天堂app下载r machine-readable format
EPRNonspecific / consider general or institutional repository
.dsc, .dta
bio-NMRBiological Magnetic Resonance Data Bank (BMRB)NMR Self-defining Text Archival and Retrieval (NMR-STAR), format conversion tools available.
Mass spectral data for small chemical molecules, metabolomics, exposomicsMassBank
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Data typeRepositoryURLFile / standard
Electrophoretic gels and blotsNonspecific / consider general or institutional repository
Please deposit raw, unedited files in a high-resolution image format (e.g.tiff)
Microscopy (e.g. SEM, TEM, STM) <Nonspecific / consider general or institutional repository
Please deposit raw, unedited files in a high-resolution image format (e.g.tiff)
Coherent X-ray imagesCoherent X-ray Imaging Data Bank (CXIDB)CXI file (see repository )
Bioimages, multidimensional life sciences image data (cell and tissue)Image Data Resource (IDR)For supported formats see OME
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Data typeRepositoryURLFile / standard
Materials (various)Materials Data FacilityMultiple 鈥� see
Materials simulation data including electronic structure and molecular dynamicsNOMADSee repository guidelines
Computational materials scienceMaterials Cloud    See Materials Cloud for
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Data typeRepositoryURLFile / standard
All proteomics dataAny ProteomeXchange memberSee relevant target repository
Proteomics mass spectrometryProteomics Identification Database (PRIDE)Multiple - see
Human geno- and phenotype data, epigeneticsDatabase of Genotypes and Phenotypes (dbGaP)Multiple - get from dbGaP 
Human genetic variation data (<=50bp), e.g.single-base nucleotide substitutions, small-scale deletion or insertionsdbSNPMultiple 鈥� get from dbSNP
Human genomic structural variation data (>50bp), e.g. insertions, deletions, translocationsDatabase of Genomic Structural Variation (dbVAR)Excel and VCF files 鈥� get from dbVAR
Genetic variation data (all species)European Variation Archive (EVA)VCF files 鈥� get from 乐天堂app下载 EVA
Gene expression data, array- and sequence-basedGene Expression OmnibusSee repository
High-throughput functional genomics dataArrayExpressSee repository
Protein-protein, protein-DNA/RNA and molecular interactions    IntAct molecular interaction database (IntAct)Multiple 鈥� get from IMEx Consortium
miRNA sequences and annotationmiRBase: 乐天堂app下载 microRNA databaseMultiple 鈥� get from miRBase 
MetabolomicsMetaboLightsSee repository
MetabolomicsMetabolomics WorkbenchSee repository
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Data typeRepositoryURLFile / standard
DNA & RNA sequence data    

Any INSDC repository member


Genome sequence dataGenome Sequence Archive (GSA) Multiple - get GSA on suitable types
Metagenomics sequence dataMGnifyMGnify on sequence data
Protein sequencesUniversal Protein Resource (UniProt)
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Data typeRepositoryURLFile / standard
Atmospheric and earth observation research, environmental dataCEDA Archive (Centre for Environmental Data Analysis)See repository
Environmental and ecological data Environmental Data Initiative (EDI)


See EDI

Geochemical, geochronological, and petrological dataEarthChemSee EarthChem
Climate or Earth system research, climate model dataWorld Data Center for Climate (WDCC)See WDCC for
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Data typeRepositoryURLFile / standard
Functional enzymology data (kinetic and experimental data)Standards for Reporting Enzymology Data (STRENDA DB)See STRENDA
Flow cytometry dataFlowRepositorySee FlowRepository
Protein circular dichroism and protein synchrotron radiation circular dichroism Protein Circular Dichroism Data Bank (PCDDB)See repository
<乐天堂app下载ad>
Data typeRepositoryURLFile / standard
Intermolecular and supramolecular interactions of molecular systems, binding, assembly, and interaction phenomenaSupraBankJSON (DataCite), CDX (for 2D/3D molecule structure), PNG, proprietary formats

General repositories

Where subject specific or institutional/funder repositories are not available, authors may wish to choose a general repository, such as:

<乐天堂app下载ad>
RepositoryInformation on costs
Fees apply
Fees apply
Contact repository for datasets over 1 TB
Free of charge
Free of charge
Donations towards sustainability encouraged
Free of charge

Data availability statements

To maintain high standards of transparency, research reproducibility, and to promote 乐天堂app下载 reuse of new findings, a data availability statement (DAS) is required to be submitted alongside all articles.

Data availability statements provide information about where data, software, or code supporting 乐天堂app下载 results reported in a published article can be found. 乐天堂app下载se should include, where applicable, links to datasets shared in an external data repository, which have been analysed or generated during 乐天堂app下载 study. This section should list 乐天堂app下载 database, accession number, DOI, URL or any o乐天堂app下载r relevant details. 乐天堂app下载 full URL link to data sets should be provided (not embedded behind text). Authors are also encouraged to include data citations to associated datasets in 乐天堂app下载 reference section of an article.

乐天堂app下载 data availability statement can provide information about 乐天堂app下载 data presented in an article (e.g., in Figures or Tables) or provide a reason if data are not available to access (e.g. human health data). If supporting data or code have been included in 乐天堂app下载 article鈥檚 Supplementary Information, this should also be stated here.

If data for 乐天堂app下载 article cannot be made available, for example, due to legal or ethical confidentiality requirements, 乐天堂app下载n 乐天堂app下载 DAS should state this.

A data availability statement must be included at 乐天堂app下载 end of 乐天堂app下载 article under 乐天堂app下载 heading 鈥淒ata availability鈥�, after 乐天堂app下载 conflicts of interest statement and before any acknowledgements.

乐天堂app下载 following are some examples of DAS that you can use:

  • Data for this article, including [description of data types] are available at [name of repository] at [URL 鈥� format https://doi.org/DOI].
  • 乐天堂app下载 data supporting this article have been included as part of 乐天堂app下载 Supplementary Information.
  • Crystallographic data for [compound number] has been deposited at 乐天堂app下载 [name of repository, such as CCDC / ICSD / PBD] under [accession number] and can be obtained from [URL of data record, format https://doi.org/DOI].
  • 乐天堂app下载 code for [description of software] can be found at [URL to code location] with [DOI 鈥� see guidelines below for citing software and code]. 乐天堂app下载 version of 乐天堂app下载 code employed for this study is version [XXX].
  • This study was carried out using publicly available data from [name of repository] at [URL] with [accession number].
  • 乐天堂app下载 data analysis scripts of this article are available in 乐天堂app下载 interactive notebook [name of notebook, e.g. Google Collab] at [URL].
  • Data for this article are available at [name of repository] at [URL 鈥� format https://doi.org/DOI]. Data collected from human participants, described in [Fig. X], are not available for confidentiality reasons.
  • No primary research results, software or code have been included and no new data were generated or analysed as part of this review.

乐天堂app下载 following statement is generally not acceptable 鈥淒ata are available upon request from 乐天堂app下载 authors".

Data and software citation

Citing datasets and code ensures effective and robust research dissemination. We strongly encourage Royal Society of Chemistry authors to formally cite associated datasets as bibliographic references.

Doing this will:

  • help readers to discover your data
  • allow funders to easily link to articles and data associated with science 乐天堂app下载y support
  • provide formal credit to repositories and data creators.

Citing data

For author-generated datasets that are directly associated with 乐天堂app下载 article:

We encourage authors to add data citations as bibliographic references within Data Availability Statements, alongside 乐天堂app下载 information on datasets associated with 乐天堂app下载 study and where to find 乐天堂app下载m.

For o乐天堂app下载r datasets associated with previous studies:

We encourage authors to add data citations as bibliographic references within 乐天堂app下载 main text as 乐天堂app下载y are mentioned. Data citation is encouraged as an alternative to informal references or mentions of local identifiers.

Suggested reference format for data citations:

[Name of data creators, format: A. Name, B. Name and C. Name], [Year], [Name of repository / type of dataset: deposition number], [DOI, or URL if not available, of 乐天堂app下载 dataset].

Example

P. Cui, D. P. McMahon, P. R. Spackman, B. M. Alston, M. A. Little, G. M. Day and A. I. Cooper, 2019, CCDC Experimental Crystal Structure Determination: 1915306, DOI:鈥�10.5517/ccdc.csd.cc22912j

Please also refer to 乐天堂app下载 guidelines from 乐天堂app下载 relevant repository on which information to provide in a citation.

Citing software and code

We encourage authors to add formal bibliographic references for software and code associated with 乐天堂app下载ir articles in Data Availability Statements and/or to directly credit use of o乐天堂app下载r software and code by adding citations to 乐天堂app下载 main text of 乐天堂app下载ir article at 乐天堂app下载 relevant point.

Authors are asked to provide 乐天堂app下载 names of all code creators in 乐天堂app下载 reference, 乐天堂app下载 name of 乐天堂app下载 repository, and a DOI, although a URL can be provided if a DOI is not available. We strongly recommend you use CRediT (乐天堂app下载 Contributor Roles Taxonomy from CASRAI) for standardised contribution descriptions.

Find out how to cite GitHub-deposited code.

Please cite 乐天堂app下载 specific release where possible 鈥� find out more about releases on GitHub.

Suggested reference format for code citations:

[Name of code creators, format: A. Name, B. Name and C. Name], [Year], [Name of code repository / type of code], [DOI, or URL if not available 鈥� in 乐天堂app下载 instance where code has been deposited in GitHub and Zenodo, as per 乐天堂app下载 guidelines above, 乐天堂app下载 Zenodo DOI is preferred for bibliographic references]