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methods.json
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methods.json
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[
{
"analytical_method": "Analytical method",
"exemplary_proprietary_file_extensions": "Exemplary proprietary file extensions",
"typical_size_of_proprietary_file": "Typical size of proprietary file",
"converter_to_open_file_format": "Converterf to open file format",
"recommendation_for_open_file_extension": "Recommendation for open file extension*",
"file_format": "File format",
"file_size_of_open_format": "File size of open format",
"monomer_characterization": "Monomer characterization",
"polymer_characterization": "Polymer characterization",
"shortname": "headers"
},
{
"analytical_method": "NMR spectroscopy",
"exemplary_proprietary_file_extensions": "<em>set of files, no typical extension</em>",
"typical_size_of_proprietary_file": "<1-50 MB",
"converter_to_open_file_format": "<a href='https://www.nmrium.org/' target='_blank'>nmrium.org</a>",
"recommendation_for_open_file_extension": ".jdx<br/>.zip<br/>",
"file_format": "JCAMP-DX <em>(raw)</em><br/>NMReDATA <em>(assignments)</em>",
"file_size_of_open_format": "<1-50 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "nmr"
},
{
"analytical_method": "Mass spectrometry",
"exemplary_proprietary_file_extensions": ".raw<br/>.d<br/>.baf",
"typical_size_of_proprietary_file": "~250 MB",
"converter_to_open_file_format": "Proteowizard",
"recommendation_for_open_file_extension": ".mzML",
"file_format": "mzML",
"file_size_of_open_format": "~250 MB",
"shortname": "ms"
},
{
"analytical_method": "IR spectroscopy",
"exemplary_proprietary_file_extensions": ".ispd<br/>.icIR",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": ".dx",
"file_format": "JCAMP-DX",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "ir"
},
{
"analytical_method": "Raman spectroscopy",
"exemplary_proprietary_file_extensions": ".dpt<br/>.spc<br/>.icRaman<br/>.sps<br/>.acs",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".dx",
"file_format": "JCAMP-DX",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "raman"
},
{
"analytical_method": "UV/vis spectroscopy",
"exemplary_proprietary_file_extensions": ".dsw<br/> .str<br/>.bsk<br/>.bkn<br/>.ksd<br/>.jws<br/>.jwb<br/>.str8<br/>.spc<br/>.sre",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".csv",
"file_format": "comma-separated values",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "uv"
},
{
"analytical_method": "Fluorescence spectroscopy",
"exemplary_proprietary_file_extensions": ".fds<br/>.fs2f<br/>.jws<br/>.opj",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".dx",
"file_format": "JCAMP-DX",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "fluoresc"
},
{
"analytical_method": "Single crystal XRD",
"exemplary_proprietary_file_extensions": ".raw",
"typical_size_of_proprietary_file": "~1 GB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".cif",
"file_format": "crystallographic information file",
"file_size_of_open_format": "<1 MB",
"shortname": "xray"
},
{
"analytical_method": "Powder XRD",
"exemplary_proprietary_file_extensions": ".raw",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".xyd",
"file_format": "text file",
"file_size_of_open_format": "<1 MB",
"shortname": "xrd"
},
{
"analytical_method": "Gas chromatography",
"exemplary_proprietary_file_extensions": ".gcd<br/>.d",
"typical_size_of_proprietary_file": "~2 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".txt",
"file_format": "text file",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": "",
"progress_of_eln_integration": "",
"shortname": "gc"
},
{
"analytical_method": "HPLC",
"exemplary_proprietary_file_extensions": ".xls",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".csv",
"file_format": "comma-separated values",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": "",
"progress_of_eln_integration": "",
"shortname": "hplc"
},
{
"analytical_method": "Cyclic voltammetry",
"exemplary_proprietary_file_extensions": ".nox<br/>.pssession",
"typical_size_of_proprietary_file": "~8 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".txt",
"file_format": "text file",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "cv"
},
{
"analytical_method": "EPR spectroscopy",
"exemplary_proprietary_file_extensions": ".spe",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".txt",
"file_format": "text file",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "epr"
},
{
"analytical_method": "Differential scanning calorimetry",
"exemplary_proprietary_file_extensions": ".ngb-dsu<br/>.ngb-taa",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".csv",
"file_format": "comma-separated values",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "dsc"
},
{
"analytical_method": "Elemental analysis",
"exemplary_proprietary_file_extensions": "",
"typical_size_of_proprietary_file": "",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".txt",
"file_format": "text file",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "ea"
},
{
"analytical_method": "Physisorption",
"exemplary_proprietary_file_extensions": ".smp",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".csv",
"file_format": "comma-separated values",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "physisorpt"
},
{
"analytical_method": "Capillary electrophoresis",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "electrophoresis"
},
{
"analytical_method": "Polarimetry",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "polarimetry"
},
{
"analytical_method": "Melting point or refractory index",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "mp"
},
{
"analytical_method": "TLC: Rf values, TLC-UV, TLC-MS",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "tlc"
},
{
"analytical_method": "Binding assays (radioligand, fluorescence-based, surface plasmon resonance (SPR), microscale thermophoresis (MST), isothermal calorimetry (ICT), etc.)",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "binding"
},
{
"analytical_method": "Activity assays (e.g. colorimetric, fluorescence-based, radioactive-based etc.)",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "activity"
},
{
"analytical_method": "Docking calculations",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "docking"
},
{
"analytical_method": "Cytotoxicity assays",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "cytotox"
},
{
"analytical_method": "Determination of water solubility (pH 7.4; maybe at further pH values)",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "watersol"
},
{
"analytical_method": "Determination of logD value (lipophilicity)",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "logd"
},
{
"analytical_method": "Peroral bioavailability (e.g. Caco-2 cell permeation assay)",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "peror_bioavail"
},
{
"analytical_method": "Brain permeation (in vitro prediction, in vivo)",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "brain_perme"
},
{
"analytical_method": "Metabolic stability (rat/mouse/human liver microsomes)",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "metab_stab"
},
{
"analytical_method": "Inhibition of the most important CYP P450 enzymes involved in drug metabolism to assess potential interactions",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "inihib_p450"
},
{
"analytical_method": "hERG channel interaction",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "herg_int"
},
{
"analytical_method": "Genotoxicity assays",
"exemplary_proprietary_file_extensions": "",
"Typical size of proprietary file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "genotox"
},
{
"analytical_method": "Isothermal titration calorimetry (ITC)",
"exemplary_proprietary_file_extensions": "",
"typical_size_of_proprietary_file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "itc"
},
{
"analytical_method": "Dynamic light scattering (DLS)",
"exemplary_proprietary_file_extensions": ".apkw .xlsx",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".csv",
"file_format": "comma-separated values",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": "",
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "dls"
},
{
"analytical_method": "Atomic force microscopy (AFM)",
"exemplary_proprietary_file_extensions": "",
"typical_size_of_proprietary_file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"monomer_characterization": "",
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "afm"
},
{
"analytical_method": "Transmission electron microscopy (TEM)",
"exemplary_proprietary_file_extensions": "",
"typical_size_of_proprietary_file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"shortname": "tem"
},
{
"analytical_method": "Electron spray ionisation mass spectrometry",
"exemplary_proprietary_file_extensions": "",
"typical_size_of_proprietary_file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "esi_ms"
},
{
"analytical_method": "Matrix assisted laser desorption/ionisation mass spectrometry",
"exemplary_proprietary_file_extensions": ".raw<br/>.d<br/>.baf",
"typical_size_of_proprietary_file": "~250 MB",
"converter_to_open_file_format": "Proteowizard",
"recommendation_for_open_file_extension": ".mzML",
"file_format": "mzML",
"file_size_of_open_format": "~250 MB",
"monomer_characterization": true,
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "maldi_ms"
},
{
"analytical_method": "Electrochemical impedance spectroscopy",
"exemplary_proprietary_file_extensions": "",
"typical_size_of_proprietary_file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"monomer_characterization": "",
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "eis"
},
{
"analytical_method": "Thermogravimetric Analysis",
"exemplary_proprietary_file_extensions": "",
"typical_size_of_proprietary_file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"monomer_characterization": "",
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "tga"
},
{
"analytical_method": "Size Exclusion Chromatography/liquid chromatography under critical conditions",
"exemplary_proprietary_file_extensions": ".fsx<br/>.inx<br.>.ldx<br/>.mdx<br/>.sax<br/>.spx",
"typical_size_of_proprietary_file": "~300 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".txt<br/>.pdf",
"file_format": "text file<br/>report file",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": "",
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "sec_lccc"
},
{
"analytical_method": "Rheology",
"exemplary_proprietary_file_extensions": "",
"typical_size_of_proprietary_file": "",
"converter_to_open_file_format": "",
"recommendation_for_open_file_extension": "",
"file_format": "",
"file_size_of_open_format": "",
"monomer_characterization": "",
"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "rheo"
},
{
"analytical_method": "X-Ray photoelectron spectroscopy",
"exemplary_proprietary_file_extensions": ".vms",
"typical_size_of_proprietary_file": "<1 MB",
"converter_to_open_file_format": "proprietary software",
"recommendation_for_open_file_extension": ".txt",
"file_format": "text file",
"file_size_of_open_format": "<1 MB",
"monomer_characterization": "",
"polymer_characterization": true,
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},
{
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"shortname": "tof_sims"
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{
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"polymer_characterization": true,
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"shortname": "sls"
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{
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"polymer_characterization": true,
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{
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{
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"polymer_characterization": true,
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{
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"shortname": "contact"
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{
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"polymer_characterization": true,
"progress_of_eln_integration": "",
"shortname": "ellips"
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]