Help:Investigation Import From File - Revision history

127.0.0.1: Added to the wiki via WikiImport-Script.

2026-01-29T13:52:00Z

Added to the wiki via WikiImport-Script.

← Older revision		Revision as of 15:52, 29 January 2026
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	Investigations are basically tables of data describing experiments. The columns represent the properties of the experiments, each row is a new experiment. That means they can be represented as Excel sheets.		Investigations are basically tables of data describing experiments. The columns represent the properties of the experiments, each row is a new experiment. That means they can be represented as Excel sheets.

	Each type of investigation needs a particular set of properties. The Excel templates of these properties for the different types are listed below.		Each type of investigation needs a particular set of properties. The Excel templates of these properties for the different types are listed below.

	'''Important to note on the handling of molecules''': They are represented by their InchI-Key as well as by their structual representation. The latter is necessary to display/render the molecule. That means that the columns for molecules appear always as 2 columns in the excel file. First the column for the InchI-Key followed by the column of the structual representation. The first has the suffix "_inchikey", the latter has the suffix "_molfile". For example: The property "Catalyst" of the investigation would appear in the excel sheet with the columns "Catalyst_inchikey" and "Catalyst_molfile".		'''Important to note on the handling of molecules''': They are represented by their InchI-Key as well as by their structual representation. The latter is necessary to display/render the molecule. That means that the columns for molecules appear always as 2 columns in the excel file. First the column for the InchI-Key followed by the column of the structual representation. The first has the suffix "_inchikey", the latter has the suffix "_molfile". For example: The property "Catalyst" of the investigation would appear in the excel sheet with the columns "Catalyst_inchikey" and "Catalyst_molfile".

93.192.177.117 at 14:41, 22 January 2026

2026-01-22T14:41:59Z

← Older revision		Revision as of 16:41, 22 January 2026
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	;Example:		;Example:
	{{#experimentlink:%5B%5BTurnover%20number%~~20CH4~~%3A%3A%3C100%5D%5D\|form=Photocatalytic_CO2_conversion_experiments\|restrictToPages=\|sort=Catalyst\|order=\|description=TON CH4 < 100}}		{{#experimentlink:%5B%5BTurnover%20number%20at%3A%3A%3C100%3B%20CH4%5D%5D\|form=Photocatalytic_CO2_conversion_experiments\|restrictToPages=\|sort=Catalyst\|order=\|description=TON CH4 < 100}}

	== How it can be imported ==		== How it can be imported ==

WikiSysop at 10:01, 9 January 2026

2026-01-09T10:01:33Z

← Older revision		Revision as of 12:01, 9 January 2026
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	*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]		*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]
	*[[Media:Absorption_Emission_Spectroscopy_template.xlsx\|"Absorption Emission Spectroscopy"-Template]]		*[[Media:Absorption_Emission_Spectroscopy_template.xlsx\|"Absorption Emission Spectroscopy"-Template]]
			*[[Media:Electrochemical_Conversion_Template.xlsx\|"Electrochemical conversion"-Template]]

WikiSysop at 11:45, 1 August 2025

2025-08-01T11:45:30Z

← Older revision		Revision as of 13:45, 1 August 2025
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	Investigations are basically tables of data describing experiments. The columns represent the properties of the experiments, each row is a new experiment. That means they can be represented as Excel sheets.		Investigations are basically tables of data describing experiments. The columns represent the properties of the experiments, each row is a new experiment. That means they can be represented as Excel sheets.

	Each type of investigation needs a particular set of properties. The Excel templates of these properties for the different types are listed below. Important to note is the handling of molecules. They are represented by their InchI-Key as well as by ~~(one of)~~ their ~~MOLFILE-~~representation. The latter is necessary to display the molecule. That means that the columns for molecules appear always as 2 columns in the excel file. First the column for the InchI-Key followed by the column of the ~~MOLFILE~~. The latter has the suffix "~~_data~~". For example: The property "Catalyst" of the investigation would appear in the excel sheet with the ~~column~~ "~~Catalyst~~" and "~~Catalyst_data~~"		Each type of investigation needs a particular set of properties. The Excel templates of these properties for the different types are listed below.

			'''Important to note on the handling of molecules''': They are represented by their InchI-Key as well as by their structual representation. The latter is necessary to display/render the molecule. That means that the columns for molecules appear always as 2 columns in the excel file. First the column for the InchI-Key followed by the column of the structual representation. The first has the suffix "_inchikey", the latter has the suffix "_molfile". For example: The property "Catalyst" of the investigation would appear in the excel sheet with the columns "Catalyst_inchikey" and "Catalyst_molfile".

			Despite the name "_inchikey", this column can also contain the abbreviation or trivial name of the molecule. In any case, it is checked if the molecule is already known to the wiki. If so, the molecule is used and the content of the "_molfile"-column is ignored. In case that the name is not unique, the first molecule found is used. It is also possible to specify an InchIKey and let the molfile-column empty. In this case, PubChem is requested to get a structual representation of the molecule. If none is found, the column remains empty.

	;Example:		;Example:

WikiSysop: /* Templates for download */

2025-08-01T09:52:08Z

Templates for download

← Older revision		Revision as of 11:52, 1 August 2025
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	*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]		*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]
	*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]		*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]
	*[[Media:Absorption_Emission_Spectroscopy_template\|"Absorption Emission Spectroscopy"-Template]]		*[[Media:Absorption_Emission_Spectroscopy_template.xlsx\|"Absorption Emission Spectroscopy"-Template]]

WikiSysop: /* Templates for download */

2025-08-01T09:48:49Z

Templates for download

← Older revision		Revision as of 11:48, 1 August 2025
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	*[[Media:Photocatalytic CO2 conversion Template_New.xlsx\|"Photocatalytic CO2 conversion"-Template]]		*[[Media:Photocatalytic CO2 conversion Template_New.xlsx\|"Photocatalytic CO2 conversion"-Template]]
	*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]		*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]
			*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]
			*[[Media:Absorption_Emission_Spectroscopy_template\|"Absorption Emission Spectroscopy"-Template]]

WikiSysop at 17:15, 22 November 2024

2024-11-22T17:15:42Z

← Older revision		Revision as of 19:15, 22 November 2024
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	== Templates for download==		== Templates for download==
	*[[Media:Photocatalytic CO2 conversion ~~Template~~.xlsx\|"Photocatalytic CO2 conversion"-Template]]		*[[Media:Photocatalytic CO2 conversion Template_New.xlsx\|"Photocatalytic CO2 conversion"-Template]]
	*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]		*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]

127.0.0.1: Added to the wiki via WikiImport-Script.

2024-11-22T11:05:25Z

Added to the wiki via WikiImport-Script.

← Older revision		Revision as of 13:05, 22 November 2024
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	== What can be imported? ==		== What can be imported? ==
	Investigations are basically tables of data describing experiments. The columns represent the properties of the experiments, each row is a new experiment. That means they can be represented as Excel sheets.		Investigations are basically tables of data describing experiments. The columns represent the properties of the experiments, each row is a new experiment. That means they can be represented as Excel sheets.

	Each type of investigation needs a particular set of properties. The Excel templates of these properties for the different types are listed below. Important to note is the handling of molecules. They are represented by their InchI-Key as well as by (one of) their MOLFILE-representation. The latter is necessary to display the molecule. That means that the columns for molecules appear always as 2 columns in the excel file. First the column for the InchI-Key followed by the column of the MOLFILE. The latter has the suffix "_data". For example: The property "Catalyst" of the investigation would appear in the excel sheet with the column "Catalyst" and "Catalyst_data"		Each type of investigation needs a particular set of properties. The Excel templates of these properties for the different types are listed below. Important to note is the handling of molecules. They are represented by their InchI-Key as well as by (one of) their MOLFILE-representation. The latter is necessary to display the molecule. That means that the columns for molecules appear always as 2 columns in the excel file. First the column for the InchI-Key followed by the column of the MOLFILE. The latter has the suffix "_data". For example: The property "Catalyst" of the investigation would appear in the excel sheet with the column "Catalyst" and "Catalyst_data"

WikiSysop at 15:03, 24 October 2024

2024-10-24T15:03:15Z

← Older revision		Revision as of 17:03, 24 October 2024
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	Each type of investigation needs a particular set of properties. The Excel templates of these properties for the different types are listed below. Important to note is the handling of molecules. They are represented by their InchI-Key as well as by (one of) their MOLFILE-representation. The latter is necessary to display the molecule. That means that the columns for molecules appear always as 2 columns in the excel file. First the column for the InchI-Key followed by the column of the MOLFILE. The latter has the suffix "_data". For example: The property "Catalyst" of the investigation would appear in the excel sheet with the column "Catalyst" and "Catalyst_data"		Each type of investigation needs a particular set of properties. The Excel templates of these properties for the different types are listed below. Important to note is the handling of molecules. They are represented by their InchI-Key as well as by (one of) their MOLFILE-representation. The latter is necessary to display the molecule. That means that the columns for molecules appear always as 2 columns in the excel file. First the column for the InchI-Key followed by the column of the MOLFILE. The latter has the suffix "_data". For example: The property "Catalyst" of the investigation would appear in the excel sheet with the column "Catalyst" and "Catalyst_data"

			;Example:
			{{#experimentlink:%5B%5BTurnover%20number%20CH4%3A%3A%3C100%5D%5D\|form=Photocatalytic_CO2_conversion_experiments\|restrictToPages=\|sort=Catalyst\|order=\|description=TON CH4 < 100}}

	== How it can be imported ==		== How it can be imported ==

84.178.68.3 at 14:58, 24 October 2024

2024-10-24T14:58:23Z

← Older revision		Revision as of 16:58, 24 October 2024
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	== What can be imported? ==		== What can be imported? ==
	~~TODO~~: ~~describe feature~~		Investigations are basically tables of data describing experiments. The columns represent the properties of the experiments, each row is a new experiment. That means they can be represented as Excel sheets.

			Each type of investigation needs a particular set of properties. The Excel templates of these properties for the different types are listed below. Important to note is the handling of molecules. They are represented by their InchI-Key as well as by (one of) their MOLFILE-representation. The latter is necessary to display the molecule. That means that the columns for molecules appear always as 2 columns in the excel file. First the column for the InchI-Key followed by the column of the MOLFILE. The latter has the suffix "_data". For example: The property "Catalyst" of the investigation would appear in the excel sheet with the column "Catalyst" and "Catalyst_data"

	== How it can be imported ==		== How it can be imported ==
	~~TODO~~: ~~describe workflow~~		To add a new Investigation, go to the edit mode and select "Investigation" from the "Insert"-menu. You should see this:

			[[Image:Investigation_dialog.png]]

			You have to select the type of the experiment and the name. At the bottom you can select an Excel file containing the investigation. If you dont select a file, an empty investigation is created. If you click "Insert" with a selected file, it is uploaded to the system and the import process starts in background. This can take several minutes depending on the size of the investigation. Once the import process is finished the page is automatically updated to show the results. Don't forget to save the page afterwards.

	== Templates for download==		== Templates for download==
	*[[Media:Photocatalytic CO2 conversion Template.xlsx\|"Photocatalytic CO2 conversion"-Template]]		*[[Media:Photocatalytic CO2 conversion Template.xlsx\|"Photocatalytic CO2 conversion"-Template]]
	*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]		*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]

← Older revision		Revision as of 12:01, 9 January 2026
Line 23:		Line 23:
	*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]		*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]
	*[[Media:Absorption_Emission_Spectroscopy_template.xlsx\|"Absorption Emission Spectroscopy"-Template]]		*[[Media:Absorption_Emission_Spectroscopy_template.xlsx\|"Absorption Emission Spectroscopy"-Template]]
			*[[Media:Electrochemical_Conversion_Template.xlsx\|"Electrochemical conversion"-Template]]

← Older revision		Revision as of 11:52, 1 August 2025
Line 18:		Line 18:
	*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]		*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]
	*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]		*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]
	*[[Media:Absorption_Emission_Spectroscopy_template\|"Absorption Emission Spectroscopy"-Template]]		*[[Media:Absorption_Emission_Spectroscopy_template.xlsx\|"Absorption Emission Spectroscopy"-Template]]

← Older revision		Revision as of 11:48, 1 August 2025
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	*[[Media:Photocatalytic CO2 conversion Template_New.xlsx\|"Photocatalytic CO2 conversion"-Template]]		*[[Media:Photocatalytic CO2 conversion Template_New.xlsx\|"Photocatalytic CO2 conversion"-Template]]
	*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]		*[[Media:Cyclic_Voltammetry_Template.xlsx\|"Cyclic Voltammetry"-Template]]
			*[[Media:UV_vis_Template.xlsx\|"UV_visuell"-Template]]
			*[[Media:Absorption_Emission_Spectroscopy_template\|"Absorption Emission Spectroscopy"-Template]]