From 085bbc80c739c1dd15cf0460be3dc48feffac2f7 Mon Sep 17 00:00:00 2001 From: samirdarouich Date: Wed, 6 Mar 2024 09:55:28 +0100 Subject: [PATCH] overwork ongoing --- .DS_Store | Bin 8196 -> 8196 bytes FAIRFlowChemistry/tools/acquisition.py | 15 +- FAIRFlowChemistry/tools/calculator.py | 13 +- FAIRFlowChemistry/tools/initialize.py | 103 +- FAIRFlowChemistry/tools/logger_setup.py | 5 +- Main.ipynb | 91 +- datasets/poresize_omc.json | 16 + datasets/test.json | 10073 +++++++++++++++++++++- specifications/datamodel.md | 4 +- 9 files changed, 10165 insertions(+), 155 deletions(-) create mode 100644 datasets/poresize_omc.json diff --git a/.DS_Store b/.DS_Store index 70b33a867bb6325abb8b725a67b85b5a0048b334..86b80954e3755689ccacb338d79d6adf1ffc4b79 100644 GIT binary patch delta 161 zcmZp1XmOa}&&aniU^hP_-((&Ed&cdPeFO@*#H*_<40RNY&CMr&6q9D`oXjgOuiwSM zz`(+g!jQ;N!jM=NT$GoSpO+34V+3MOm^ec&Lq3q5%8)ZTPDp;Tyr2&rBN@9Us|YDi gt`%yTY%ChK`L<{i1$7bER+H9U-PKG)x_GKfGUv`g zw-CbU)W6do5FPv0wL^ECVdneZW9EBrzUd`<$%hP+Ub63VOyXW&f(`kjP|y22op?MN z3dCaJZYa=M53hy-(MY`8opH|x<&C5Kl~&b_JB$WnPQ>gu{)T%>T)0314HT|(rmh)! znK;G|gp8xKJ0T^0ECxLu(o%7Q8Y=u;TI2~q;4QJo-^8F-X<0QzGZc~^@=vKgG2vHn z`L@=Oox;~P5F zv2SH@NxV$8caXvwBBLo2+C&=sLtL7I%*l$ItQ^`_Y+x_%pT2*KXIl&8$3Pi*lt|U2 vW&co{uu4pcToftOX>Vi2Ih)pu;<$M}V5&SwNqyFDJ`bk-UoO`EZ=I(f!8er3 diff --git a/FAIRFlowChemistry/tools/acquisition.py b/FAIRFlowChemistry/tools/acquisition.py index 5213a5d..527ecd3 100644 --- a/FAIRFlowChemistry/tools/acquisition.py +++ b/FAIRFlowChemistry/tools/acquisition.py @@ -91,7 +91,9 @@ def read_pid(self,_): def visualize_pid(self,_): # Function that visualizes the PID as graph - self.read_pid(None) + # If plant is just initialized read in PID first + if not self.plant.components: + self.read_pid(None) self.plant.visualize() def save_dataset(self,_): @@ -186,6 +188,15 @@ def dataset_input_handler(self,_): with open(self.dataset_dropdown.value) as f: self.dataset = Dataset.from_json(f) self.experiments.value = [ exp.id for exp in self.dataset.experiments ] + self.plant = self.dataset.experiments[0].plant_setup if self.dataset.experiments else PlantSetup() + + # Update component list + self.component_list = [ pl.component_id for pl in self.plant.components ] + + if self.component_list: + with self.pid_output: + self.pid_output.clear_output(wait=False) + print("PID taken from first experiment of dataset!\n") except: raise KeyError("\nChoosen dataset cannot be interpreted!\n") @@ -290,8 +301,6 @@ def choose_data(self, root: Path, dataset_directory: str) -> None: # Initialize several objects self.dataset_input_handler(None) - self.plant = PlantSetup() - self.component_list = [ ] self.measurement_objects = [ ] self.measurements.value = [ "Measurement 1" ] diff --git a/FAIRFlowChemistry/tools/calculator.py b/FAIRFlowChemistry/tools/calculator.py index 68ad0b2..000d4f4 100644 --- a/FAIRFlowChemistry/tools/calculator.py +++ b/FAIRFlowChemistry/tools/calculator.py @@ -82,7 +82,7 @@ def _calculate_real_volumetric_flow(self): correction_factor_CO2 = self.experiment.get("species_data", "species", "Carbon dioxide")[0][0].correction_factor volumetric_fraction_H = self.volumetric_fractions_df.loc["Hydrogen"].values[0] - volumetric_fraction_CO = self.volumetric_fractions_df.loc["Carbon Monooxide"].values[0] + volumetric_fraction_CO = self.volumetric_fractions_df.loc["Carbon monoxide"].values[0] k1 = volumetric_fraction_H / correction_factor_H k2 = ( 1 - volumetric_fraction_H + volumetric_fraction_CO ) / correction_factor_CO2 @@ -110,7 +110,7 @@ def _calculate_theoretical_material_flow(self): and a factor describing the electron transfer for each species """ faraday_constant = const.physical_constants["Faraday constant"][0] - factors = { esd.species: esd.faraday_coefficient for esd in self.experiment.species_data } + factors = { esd.species: esd.electron_transfer for esd in self.experiment.species_data } self.theoretical_material_flow_df = pd.DataFrame( index=[species for species in factors.keys()], columns = ["Theoretical_material_flow [mol/s]"] ) # Current_density i provided in mA/cm^2; Electrode surface A is given as cm^2 --> current I = i*A_surface * 1A / 1000mA [A] @@ -176,10 +176,9 @@ def calculate_faraday_efficiencies(self, gc_measurement: Measurement): faraday_efficiency_df = self.material_flow_df.divide( self.theoretical_material_flow_df["Theoretical_material_flow [mol/s]"], axis="index", ).rename(columns=rename) * 100 faraday_efficiency_df.dropna(inplace=True) - # Write into logger (but just in the first handler (which is the file handler)) - logger.info("\n%s\n%s\n%s\n%s\n\n", - self.volumetric_fractions_df.to_string(), - (self.material_flow_df*60*1000).rename( columns={"Material_flow [mol/s]":"Material_flow [mmol/min]"}).to_string(), - (self.theoretical_material_flow_df*60*1000).rename( columns={"Theoretical_material_flow [mol/s]":"Theoretical_material_flow [mmol/min]"}).to_string()) + # Write into logger + logger.info( self.volumetric_fractions_df.to_string() ) + logger.info( (self.material_flow_df*60*1000).rename( columns={"Material_flow [mol/s]":"Material_flow [mmol/min]"}).to_string() ) + logger.info( (self.theoretical_material_flow_df*60*1000).rename( columns={"Theoretical_material_flow [mol/s]":"Theoretical_material_flow [mmol/min]"}).to_string() ) return faraday_efficiency_df \ No newline at end of file diff --git a/FAIRFlowChemistry/tools/initialize.py b/FAIRFlowChemistry/tools/initialize.py index 16d9eea..8f535d9 100644 --- a/FAIRFlowChemistry/tools/initialize.py +++ b/FAIRFlowChemistry/tools/initialize.py @@ -2,8 +2,6 @@ import os import ipywidgets as widgets -from typing import List -from pathlib import Path from IPython.display import display, clear_output # Import Dataset @@ -28,49 +26,17 @@ def save_dataset(self,_): # Add project group self.dataset.general_information.project = self.project.value - # Add authors to the dataset - for aut,aff,ident in zip( self.authors.value.split(","), self.affiliations.value.split(","), self.identifier.value.split(",") ): - self.dataset.general_information.add_to_authors( name = aut.strip(), - affiliation = aff.strip(), - identifier_scheme = self.identifier_scheme.value, - identifier = ident.strip() ) - - # Add contact (search contact in provided authors) - affili = [ aff for aut,aff in zip(self.authors.value.split(","), self.affiliations.value.split(",")) if aut.strip() == self.contact_text.value.split(",")[0].strip() ] - affili = affili[0] if bool(affili) else None - - self.dataset.general_information.contact = dict( name = self.contact_text.value.split(",")[0].strip(), - email = self.contact_text.value.split(",")[1].strip(), - affiliation = affili ) - - # Add subject - self.dataset.general_information.subject = list( self.subject_selection.value ) - - # Add related publication - self.dataset.general_information.related_publication = dict( citation = self.related_publication.value.split(",")[0].strip(), - url = self.related_publication.value.split(",")[1].strip() ) - - # Add topic classifications (if provided) - if self.topic_classification.value: - for i in range(0, len(self.topic_classification.value.split(",")), 2): - self.dataset.general_information.add_to_topic_classification( value = self.topic_classification.value.split(",")[i].strip() , - vocab_uri = self.topic_classification.value.split(",")[i + 1].strip() ) - - # Add keywords (if provided) - if self.keywords.value: - for i in range(0, len(self.keywords.value.split(",")), 2): - self.dataset.general_information.add_to_keywords( value = self.keywords.value.split(",")[i].strip() , - vocabulary_uri = self.keywords.value.split(",")[i + 1].strip() ) - - # Write dataset # - + # Add purpose + self.dataset.general_information.purpose = self.purpose.value + + # Write dataset os.makedirs( f"{os.getcwd()}/{os.path.dirname(self.dataset_text.value)}", exist_ok=True ) - with open( "%s.json"%self.dataset_text.value, "w") as f: f.write(self.dataset.json()) + with open( f"{os.getcwd()}/{self.dataset_text.value}.json", "w") as f: f.write(self.dataset.json()) def change_dataset(self,_): self.button_save.description = 'Save dataset as: %s.json'%self.dataset_text.value - def write_dataset(self, subjects: List=[] ) -> None: + def write_dataset(self) -> None: self.title = widgets.Text(description="Title of the project:", placeholder="Type the title of the project", @@ -87,55 +53,11 @@ def write_dataset(self, subjects: List=[] ) -> None: layout=widgets.Layout(width='auto'), style={'description_width': 'auto'}) - self.authors = widgets.Text(description="Author list:", - placeholder="Name the authors of the project (e.g.: author1, author2, ...)", - layout=widgets.Layout(width='auto'), - style={'description_width': 'auto'}) - - self.affiliations = widgets.Text(description="Affiliations:", - placeholder="Name the affiliation fo each author (e.g.: University of Stuttgart, TUM, ...)", - layout=widgets.Layout(width='auto'), - style={'description_width': 'auto'}) - - - self.identifier_scheme = widgets.Dropdown(options= ["ORCID"], - description="Choose unique identifier scheme:", - layout=widgets.Layout(width='auto'), - style={'description_width': 'auto'}) - - self.identifier = widgets.Text(description="Unique identifier:", - placeholder="Provide identifier according to choosen identifier scheme (e.g. for ORCID: xxxx-xxxx-xxxx-xxxx) for every author", - layout=widgets.Layout(width='auto'), - style={'description_width': 'auto'}) - - self.contact_text = widgets.Text(description="Contact:", - placeholder="Name the contact of the project (e.g.: Max Mustermann, max.mustermann@universityofstuttgart.de)", + self.purpose = widgets.Text(description="Purpose:", + placeholder="Purpose of this dataset", layout=widgets.Layout(width='auto'), style={'description_width': 'auto'}) - self.subject_selection = widgets.SelectMultiple( options=subjects, - description="Choose subjects (press and hold 'strg' to select several):", - value=["Chemistry"], - layout=widgets.Layout(width='auto'), - style={'description_width': 'auto'} ) - - self.related_publication = widgets.Text (description="Related publication:", - placeholder="The full bibliographic citation for this related publication and link to the publication web page, separated by a comma (e.g.: M. Mustermann Publication: Test. J. Chem. Phys. xxx, xxx (xxx), https://doi.org/xxx )", - layout=widgets.Layout(width='auto'), - style={'description_width': 'auto'}) - - - self.topic_classification = widgets.Text (description="Topic classification:", - placeholder="[Optional] The classification and the url, seperated by a comma (e.g.: homogeneous catalysis (LCSH), https://xxx, polyethers (LCSH), https://xxx, ... )", - layout=widgets.Layout(width='auto'), - style={'description_width': 'auto'}) - - self.keywords = widgets.Text (description="Keywords:", - placeholder="[Optional] The keywords and the url, seperated by a comma (e.g.: polymer chemistry (Loterre Chemistry Vocabulary), https://xxx )", - layout=widgets.Layout(width='auto'), - style={'description_width': 'auto'}) - - self.dataset_text = widgets.Text(description="Dataset destination:", placeholder="Provide a relative path to save the dataset (e.g. datasets/dummy will be saved as datasets/dummy.json).", layout=widgets.Layout(width='auto'), @@ -160,14 +82,11 @@ def write_dataset(self, subjects: List=[] ) -> None: # Widgets v_space = widgets.VBox([widgets.Label(value='')], layout=widgets.Layout(height='30px')) - widgets0 = widgets.VBox([self.title, self.description, self.project,v_space]) - widgets1 = widgets.VBox([self.authors, self.affiliations, self.contact_text, v_space, self.identifier_scheme, self.identifier, v_space]) - widgets2 = widgets.VBox([self.subject_selection, self.related_publication, self.topic_classification, self.keywords, v_space]) - widgets3 = widgets.VBox([self.dataset_text, v_space]) - widgets4 = widgets.VBox([self.button_save, self.button_output], layout=widgets.Layout(align_items = 'center') ) + widgets0 = widgets.VBox([self.title, self.description, self.project, self.purpose, v_space, self.dataset_text, v_space]) + widgets1 = widgets.VBox([self.button_save, self.button_output], layout=widgets.Layout(align_items = 'center') ) # Combine the layout - full_layout = widgets.VBox([widgets0, widgets1, widgets2, widgets3, widgets4]) + full_layout = widgets.VBox([widgets0, widgets1]) # Display the layout display(full_layout) diff --git a/FAIRFlowChemistry/tools/logger_setup.py b/FAIRFlowChemistry/tools/logger_setup.py index cdfca34..160fcf0 100644 --- a/FAIRFlowChemistry/tools/logger_setup.py +++ b/FAIRFlowChemistry/tools/logger_setup.py @@ -12,9 +12,6 @@ def setup_logger( log_file: str="" ): logger = logging.getLogger() logger.setLevel(logging.DEBUG) - # Create a formatter - formatter = logging.Formatter("%(asctime)s - %(name)s - %(message)s", datefmt="%m-%d-%y %H:%M:%S") - # Create a file handler and set the level to INFO if log_file: file_handler = FileHandler( log_file ) @@ -22,7 +19,7 @@ def setup_logger( log_file: str="" ): file_handler.setFormatter( logging.Formatter( "%(asctime)s - %(name)s - %(message)s", datefmt="%m-%d-%y %H:%M:%S" ) ) logger.addHandler(file_handler) - # Create a console handler and set the level to INFO + # Create a console handler and set the level to WARNING console_handler = StreamHandler() console_handler.setLevel(logging.INFO) console_handler.setFormatter( logging.Formatter( "%(message)s" ) ) diff --git a/Main.ipynb b/Main.ipynb index 81f3b10..94831ac 100644 --- a/Main.ipynb +++ b/Main.ipynb @@ -21,7 +21,7 @@ }, { "cell_type": "code", - "execution_count": 3, + "execution_count": 1, "metadata": {}, "outputs": [], "source": [ @@ -30,15 +30,15 @@ "%autoreload 2\n", "\n", "# Import standard libraries\n", + "import os\n", "import logging\n", - "from pathlib import Path\n", "\n", "# Import tools for data processing and analysis and DaRUS upload\n", "from FAIRFlowChemistry.tools.logger_setup import setup_logger\n", "from FAIRFlowChemistry.tools import initialize_dataset, reading_raw_data_widget, analyzing_raw_data_widget, DaRUS_upload\n", "\n", "# Get root path of the notebook\n", - "root = Path.cwd()\n", + "root = os.getcwd()\n", "\n", "# Setup logger\n", "setup_logger( \"log_faraday_efficency.log\" )\n", @@ -57,21 +57,32 @@ }, { "cell_type": "code", - "execution_count": null, + "execution_count": 5, "metadata": {}, - "outputs": [], + "outputs": [ + { + "data": { + "application/vnd.jupyter.widget-view+json": { + "model_id": "3ac6d60d35f641cbb1f72429bfde7609", + "version_major": 2, + "version_minor": 0 + }, + "text/plain": [ + "VBox(children=(VBox(children=(Text(value='', description='Title of the project:', layout=Layout(width='auto'),…" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], "source": [ - "DaRUS_subjects = ['Agricultural Sciences', 'Arts and Humanities', 'Astronomy and Astrophysics', 'Business and Management', 'Chemistry', \n", - " 'Computer and Information Science', 'Earth and Environmental Sciences', 'Engineering', 'Law', 'Mathematical Sciences', \n", - " 'Medicine, Health and Life Sciences', 'Physics', 'Social Sciences', 'Other']\n", - "\n", "init_data = initialize_dataset()\n", - "init_data.write_dataset( subjects = DaRUS_subjects )" + "init_data.write_dataset( )" ] }, { "cell_type": "code", - "execution_count": 4, + "execution_count": null, "metadata": {}, "outputs": [], "source": [ @@ -80,30 +91,33 @@ "init_data.title.value = 'FAIRFlow: A Jupyter notebook-based platform for on-line analysis in flow chemistry '\n", "init_data.description.value = 'The aim of this project is to introduce the FAIR (findable, accessible, interoperable, reusable) principles into miniplant flow chemistry'\n", "init_data.project.value = 'Project B07'\n", + "init_data.purpose.value = 'This dataset includes various measurements for distinct pore size-ordered mesoporous carbon (OMC) materials, each loaded with 8% Cu. Specifically, the designations 7.1 nm and 9.2 nm denote the respective pore sizes. Notably, our sample preparation involved a comparative study on the impact of washing the sample with H2SO4'\n", + "\n", + "\n", "\n", "# List with authors and their affiliation #\n", - "init_data.authors.value = 'Richard Schömig, Jan Range, Samir Darouich, Maximilian Schmidt, Seda Yilmaz, Elias Klemm, Jürgen Pleiss' \n", - "init_data.affiliations.value = 'University of Stuttgart, University of Stuttgart, University of Stuttgart, University of Stuttgart, University of Stuttgart, University of Stuttgart, University of Stuttgart'\n", - "init_data.identifier.value = 'xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx'\n", - "init_data.contact_text.value = 'Jürgen Pleiss, juergen.pleiss@itb.uni-stuttgart.de'\n", + "# init_data.authors.value = 'Richard Schömig, Jan Range, Samir Darouich, Maximilian Schmidt, Seda Yilmaz, Elias Klemm, Jürgen Pleiss' \n", + "# init_data.affiliations.value = 'University of Stuttgart, University of Stuttgart, University of Stuttgart, University of Stuttgart, University of Stuttgart, University of Stuttgart, University of Stuttgart'\n", + "# init_data.identifier.value = 'xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx, xxx-xxx-xxx-xxx'\n", + "# init_data.contact_text.value = 'Jürgen Pleiss, juergen.pleiss@itb.uni-stuttgart.de'\n", "\n", - "init_data.related_publication.value = \"test, https://id.loc.gov/authorities/subjects/sh2014001146.html\"\n", + "# init_data.related_publication.value = \"test, https://id.loc.gov/authorities/subjects/sh2014001146.html\"\n", "\n", - "init_data.topic_classification.value = \"homogeneous catalysis (LCSH), https://id.loc.gov/authorities/subjects/sh2014001146.html\"\n", - "init_data.keywords.value = \"polymer chemistry (Loterre Chemistry Vocabulary), https://skosmos.loterre.fr/ERC/en/page/?uri=http%3A%2F%2Fdata.loterre.fr%2Fark%3A%2F67375%2FERC-KCSKD4X9-P\"\n", + "# init_data.topic_classification.value = \"homogeneous catalysis (LCSH), https://id.loc.gov/authorities/subjects/sh2014001146.html\"\n", + "# init_data.keywords.value = \"polymer chemistry (Loterre Chemistry Vocabulary), https://skosmos.loterre.fr/ERC/en/page/?uri=http%3A%2F%2Fdata.loterre.fr%2Fark%3A%2F67375%2FERC-KCSKD4X9-P\"\n", "\n", - "init_data.dataset_text.value = \"datasets/final\"" + "init_data.dataset_text.value = \"datasets/poresize_omc\"" ] }, { "cell_type": "code", - "execution_count": 93, + "execution_count": 2, "metadata": {}, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "7683b4631346479d9252afef58647f6e", + "model_id": "87bb03cff8fa4b58b3b1cd6760619a68", "version_major": 2, "version_minor": 0 }, @@ -124,16 +138,7 @@ }, { "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [], - "source": [ - "# first read PID and then provide the possibility to link each measurement to a device from dropdown!" - ] - }, - { - "cell_type": "code", - "execution_count": 94, + "execution_count": 118, "metadata": {}, "outputs": [], "source": [ @@ -266,13 +271,13 @@ }, { "cell_type": "code", - "execution_count": 8, + "execution_count": 3, "metadata": {}, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "635505571189438e9654b2242e474c26", + "model_id": "335c872e27e3422b8667ea7b9dfd9bc8", "version_major": 2, "version_minor": 0 }, @@ -283,19 +288,10 @@ "metadata": {}, "output_type": "display_data" }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "\n", - "GC measurement already contains an assignment. Use this assignment rather than the default dictionary.\n", - "\n" - ] - }, { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "cefd94b3340640b180b278e77d64bead", + "model_id": "c16ab330081744dfa39694fa1452ebc1", "version_major": 2, "version_minor": 0 }, @@ -309,7 +305,7 @@ { "data": { "application/vnd.jupyter.widget-view+json": { - "model_id": "7a05578cf4694c5291fac440bcadb95f", + "model_id": "5a2cc320ab4a441081e5fbdeb074fb9b", "version_major": 2, "version_minor": 0 }, @@ -319,6 +315,13 @@ }, "metadata": {}, "output_type": "display_data" + }, + { + "name": "stdout", + "output_type": "stream", + "text": [ + "Dataset saved.\n" + ] } ], "source": [ diff --git a/datasets/poresize_omc.json b/datasets/poresize_omc.json new file mode 100644 index 0000000..846c854 --- /dev/null +++ b/datasets/poresize_omc.json @@ -0,0 +1,16 @@ +{ + "id": "a693b85d-4487-487b-9c1e-7659a385380b", + "general_information": { + "id": "749c47dc-2bb2-4bbd-ab57-30a2d04975a9", + "title": "FAIRFlow: A Jupyter notebook-based platform for on-line analysis in flow chemistry ", + "project": "Project B07", + "description": "The aim of this project is to introduce the FAIR (findable, accessible, interoperable, reusable) principles into miniplant flow chemistry" + }, + "experiments": [], + "__source__": { + "root": "Dataset", + "repo": "https://github.com/FAIRChemistry/FAIRFlowChemistry", + "commit": "f4f90b698573ebe018bb7f96d10be4877e4643b3", + "url": "https://github.com/FAIRChemistry/FAIRFlowChemistry/tree/f4f90b698573ebe018bb7f96d10be4877e4643b3" + } +} \ No newline at end of file diff --git a/datasets/test.json b/datasets/test.json index 950dd1e..c4016ed 100644 --- a/datasets/test.json +++ b/datasets/test.json @@ -1,10 +1,10077 @@ { "id": "14761f50-19e7-4d5d-89f5-9457ebc87bff", - "experiments": [], + "experiments": [ + { + "id": "test", + "plant_setup": { + "id": "f87e651f-962c-4cf5-bdf9-1ab9a7deea28", + "components": [ + { + "id": "0b623d95-4b19-4604-be86-2e754720a93f", + "component_type": "Equipment", + "component_id": "GasCylinder-1", + "component_class": "GasCylinder", + "component_class_uri": "https://data.posccaesar.org/rdl/RDS4316755815", + "generic_attributes": [], + "connections": [ + "Valve-1" + ] + }, + { + "id": "6b100703-e1c3-4a58-bde1-f5e3ebb6e3d0", + "component_type": "Equipment", + "component_id": "GasCylinder-2", + "component_class": "GasCylinder", + "component_class_uri": "https://data.posccaesar.org/rdl/RDS4316755815", + "generic_attributes": [], + "connections": [ + "Valve-1" + ] + }, + { + "id": "75b0db43-50ae-4d01-95fa-34aff3a72cf6", + "component_type": "Equipment", + "component_id": "Vessel-1", + "component_class": "Vessel", + "component_class_uri": "https://data.posccaesar.org/rdl/RDS414674", + "generic_attributes": [], + "connections": [ + "Valve-1", + "Valve-2" + ] + }, + { + "id": "700a3dfb-6fea-44d2-868c-75527edc7749", + "component_type": "Equipment", + "component_id": "GasFilter-1", + "component_class": "GasFilter", + "component_class_uri": "https://data.posccaesar.org/rdl/RDS4316755843", + "generic_attributes": [], + "connections": [ + "Valve-2" + ] + }, + { + "id": "417f2d04-7f02-4daf-88b0-0009f9580403", + "component_type": "Piping component", + "component_id": "Valve-1", + "component_class": "Valve", + "component_class_uri": "https://data.posccaesar.org/rdl/RDS292589", + "generic_attributes": [], + "connections": [ + "GasCylinder-1", + "Vessel-1", + "GasCylinder-2" + ] + }, + { + "id": "3202a57e-a114-447b-82fe-d6c2d2c90e01", + "component_type": "Piping component", + "component_id": "Valve-2", + "component_class": "Valve", + "component_class_uri": "https://data.posccaesar.org/rdl/RDS292589", + "generic_attributes": [], + "connections": [ + "Vessel-1", + "GasFilter-1" + ] + } + ], + "input": [], + "output": [] + }, + "measurements": [ + { + "id": "Measurement1_potentiostat_0", + "measurement_type": "Galvanostatic measurement", + "metadata": [ + { + "id": "f353e244-c6a4-436c-af30-f491eb046f4d", + 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a/specifications/datamodel.md b/specifications/datamodel.md index 40a6c9d..259ea40 100644 --- a/specifications/datamodel.md +++ b/specifications/datamodel.md @@ -7,8 +7,8 @@ This is the perliminary data model for CRC 1333 project B07. At the current time ### Dataset - general_information - - Type: { title: string, project: string, description: string } - - Description: general data about the datasetm like titel, project name, and description. + - Type: { title: string, project: string, description: string, purpose: string } + - Description: general data about the dataset like titel, project name, description, and purpose. - experiments - Type: Experiment[] - Description: information about the individual experiment.