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{
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{
            
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  "author": "Stark, Pauline",
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  "author": "Stark, Pauline",
            
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  "author_email": "",
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  "author_email": "",
            
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  "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700",
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  "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700",
            
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  "doi": "10.22000/338",
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  "doi": "10.22000/338",
            
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  "doi_date_published": "2020",
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  "doi_date_published": "2020",
            
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  "doi_publisher": "",
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  "doi_publisher": "",
            
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  "doi_status": "True",
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  "doi_status": "True",
            
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  "extra_authors": [
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  "extra_authors": [
            
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    {
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    {
            
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      "extra_author": "Porzel, Andrea",
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      "extra_author": "Porzel, Andrea",
            
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      "orcid": "0000-0002-8148-6895"
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      "orcid": "0000-0002-8148-6895"
            
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    },
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    },
            
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    {
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    {
            
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      "extra_author": "Zab, Caroline",
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      "extra_author": "Zab, Caroline",
            
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      "orcid": ""
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      "orcid": ""
            
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    },
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    },
            
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    {
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    {
            
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      "extra_author": "Wessjohann, Ludger",
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      "extra_author": "Wessjohann, Ludger",
            
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      "orcid": "0000-0003-2060-8235"
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      "orcid": "0000-0003-2060-8235"
            
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    },
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    },
            
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    {
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    {
            
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      "extra_author": "Franke, Katrin",
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      "extra_author": "Franke, Katrin",
            
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      "orcid": "0000-0003-3043-3571"
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      "orcid": "0000-0003-3043-3571"
            
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    },
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    },
            
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    {
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    {
            
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      "extra_author": "Rizzo, Paride",
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      "extra_author": "Rizzo, Paride",
            
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      "orcid": "0000-0003-3802-2005"
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      "orcid": "0000-0003-3802-2005"
            
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    }
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    }
            
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  ],
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  ],
            
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  "groups": [],
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  "groups": [],
            
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  "id": "cb5cca01-a6f5-4934-93ae-e3ac750a67ee",
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  "id": "cb5cca01-a6f5-4934-93ae-e3ac750a67ee",
            
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  "isopen": false,
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  "isopen": false,
            
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  "license_id": "CC BY-SA 4.0 Attribution-ShareAlike",
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  "license_id": "CC BY-SA 4.0 Attribution-ShareAlike",
            
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  "license_title": "CC BY-SA 4.0 Attribution-ShareAlike",
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  "license_title": "CC BY-SA 4.0 Attribution-ShareAlike",
            
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  "metadata_created": "2023-01-12T13:30:29.343603",
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  "metadata_created": "2023-01-12T13:30:29.343603",
            
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  "metadata_modified": "2023-01-12T13:30:29.343607",
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  "metadata_modified": "2023-08-04T08:49:19.183135",
            
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  "name": "rdr-doi-10-22000-338",
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  "name": "rdr-doi-10-22000-338",
            
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  "notes": "Abstract: 1H-NMR is a very reproducible spectroscopic 
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  "notes": "Abstract: 1H-NMR is a very reproducible spectroscopic 
            
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method and, therefore, a powerful tool for metabolomic analysis of 
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method and, therefore, a powerful tool for metabolomic analysis of 
            
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biological samples. However, due to the high complexity of natural 
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biological samples. However, due to the high complexity of natural 
            
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samples, such as plant extracts, the evaluation of spectra is 
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samples, such as plant extracts, the evaluation of spectra is 
            
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difficult because of signal overlap. The new NMR \"Pure Shift\" 
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difficult because of signal overlap. The new NMR \"Pure Shift\" 
            
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methods improve spectral resolution by suppressing homonuclear 
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methods improve spectral resolution by suppressing homonuclear 
            
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coupling and turning multiplets into singlets. The PSYCHE (Pure Shift 
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coupling and turning multiplets into singlets. The PSYCHE (Pure Shift 
            
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Yielded by Chirp excitation) and the Zangger-Sterk pulse sequence were 
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Yielded by Chirp excitation) and the Zangger-Sterk pulse sequence were 
            
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tested. The parameters of the more suitable PSYCHE experiment were 
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tested. The parameters of the more suitable PSYCHE experiment were 
            
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optimized, and the extracts of 21 Hypericum species were measured. 
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optimized, and the extracts of 21 Hypericum species were measured. 
            
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Different evaluation criteria were used to compare the suitability of 
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Different evaluation criteria were used to compare the suitability of 
            
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the PSYCHE experiment with conventional 1H-NMR. The relationship 
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the PSYCHE experiment with conventional 1H-NMR. The relationship 
            
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between the integral of a signal and the related bin value established 
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between the integral of a signal and the related bin value established 
            
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by linear regression demonstrates an equal representation of the 
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by linear regression demonstrates an equal representation of the 
            
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integrals in binned PSYCHE spectra compared to conventional 1H-NMR. 
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integrals in binned PSYCHE spectra compared to conventional 1H-NMR. 
            
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Using multivariate data analysis based on both techniques reveals 
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Using multivariate data analysis based on both techniques reveals 
            
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comparable results. The obtained data demonstrate that Pure Shift 
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comparable results. The obtained data demonstrate that Pure Shift 
            
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spectra can support the evaluation of conventional 1H-NMR 
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spectra can support the evaluation of conventional 1H-NMR 
            
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experiments.",
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experiments.",
            
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  "num_resources": 0,
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  "num_resources": 0,
            
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  "num_tags": 4,
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  "num_tags": 4,
            
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  "orcid": "0000-0003-4368-0125",
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  "orcid": "0000-0003-4368-0125",
            
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  "organization": {
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  "organization": {
            
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    "approval_status": "approved",
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    "approval_status": "approved",
            
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    "created": "2023-01-12T13:30:23.238233",
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    "created": "2023-01-12T13:30:23.238233",
            
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    "description": "RADAR (Research Data Repository) is a 
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    "description": "RADAR (Research Data Repository) is a 
            
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cross-disciplinary repository for archiving and publishing research 
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cross-disciplinary repository for archiving and publishing research 
            
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data from completed scientific studies and projects. The focus is on 
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data from completed scientific studies and projects. The focus is on 
            
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research data from subjects that do not yet have their own 
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research data from subjects that do not yet have their own 
            
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discipline-specific infrastructures for research data management. ",
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discipline-specific infrastructures for research data management. ",
            
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    "id": "013c89a9-383c-4200-8baa-0f78bf1d91f9",
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    "id": "013c89a9-383c-4200-8baa-0f78bf1d91f9",
            
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    "image_url": "radar-logo.svg",
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    "is_organization": true,
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    "name": "radar",
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    "name": "radar",
            
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    "state": "active",
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    "state": "active",
            
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    "title": "RADAR",
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    "title": "RADAR",
            
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    "type": "organization"
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    "type": "organization"
            
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  },
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  "owner_org": "013c89a9-383c-4200-8baa-0f78bf1d91f9",
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  "private": false,
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  "private": false,
            
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  "production_year": "2019",
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  "production_year": "2019",
            
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  "publication_year": "2020",
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  "publication_year": "2020",
            
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  "publishers": [
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  "publishers": [
            
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    {
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    {
            
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      "publisher": "Leibniz-Institut f\u00fcr Pflanzenbiochemie"
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      "publisher": "Leibniz-Institut f\u00fcr Pflanzenbiochemie"
            
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    }
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    }
            
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  ],
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  ],
            
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  "related_identifiers": [
            
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    {
            
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      "identifier": "doi:10.3390/molecules25215125",
            
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      "identifier_type": "DOI",
            
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      "relation_type": "IsSupplementTo"
            
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  "repository_name": "RADAR (Research Data Repository)",
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  "repository_name": "RADAR (Research Data Repository)",
            
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  "resource_type": "Dataset - NMR raw data",
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  "resource_type": "Dataset - NMR raw data",
            
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  "resources": [],
            
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  "services_used_list": "",
            
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  "source_metadata_created": "2020",
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  "source_metadata_created": "2020",
            
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  "state": "active",
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  "state": "active",
            
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      "subject_area_additional": "",
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      "subject_area_additional": "",
            
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      "subject_area_name": "Chemistry"
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      "subject_area_name": "Chemistry"
            
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    },
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    {
            
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      "subject_area_additional": "",
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      "subject_area_additional": "",
            
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      "subject_area_name": "Biochemistry"
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      "subject_area_name": "Biochemistry"
            
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  ],
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  "tags": [
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  "tags": [
            
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    {
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    {
            
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      "display_name": "Hypericum",
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      "display_name": "Hypericum",
            
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      "id": "446685d0-8901-446d-be0b-e545061c7fdc",
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      "id": "446685d0-8901-446d-be0b-e545061c7fdc",
            
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      "name": "Hypericum",
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      "name": "Hypericum",
            
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    },
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    },
            
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      "display_name": "PSYCHE",
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      "display_name": "PSYCHE",
            
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      "id": "b4b55cd3-babf-4552-bc1b-860ce2b3aff5",
            
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      "name": "PSYCHE",
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      "name": "PSYCHE",
            
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      "state": "active",
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      "state": "active",
            
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      "vocabulary_id": null
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      "vocabulary_id": null
            
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    },
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    },
            
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    {
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    {
            
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      "display_name": "Pure Shift NMR",
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      "display_name": "Pure Shift NMR",
            
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      "id": "9f91b96e-3f3c-4e5e-9368-9973d144d912",
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      "id": "9f91b96e-3f3c-4e5e-9368-9973d144d912",
            
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      "name": "Pure Shift NMR",
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      "name": "Pure Shift NMR",
            
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      "state": "active",
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      "state": "active",
            
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      "vocabulary_id": null
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      "vocabulary_id": null
            
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    },
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    },
            
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    {
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    {
            
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      "display_name": "metabolomics",
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      "display_name": "metabolomics",
            
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      "id": "ea4ddf63-8dae-425a-bba7-a9ab873c2d28",
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      "id": "ea4ddf63-8dae-425a-bba7-a9ab873c2d28",
            
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      "name": "metabolomics",
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      "name": "metabolomics",
            
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      "state": "active",
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      "state": "active",
            
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      "vocabulary_id": null
            
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    }
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    }
            
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  ],
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  ],
            
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  "title": "Psyche - a valuable experiment in plant nmr-metabolomics",
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  "title": "Psyche - a valuable experiment in plant nmr-metabolomics",
            
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  "type": "vdataset",
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  "type": "vdataset",
            
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  "url": "https://doi.org/10.22000/338"
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  "url": "https://doi.org/10.22000/338"
            
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}
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}