diff --git a/docs/eln/ui/import.mdx b/docs/eln/ui/import.mdx index de921dce..dc455ab8 100644 --- a/docs/eln/ui/import.mdx +++ b/docs/eln/ui/import.mdx @@ -9,7 +9,8 @@ import { DownloadBtn } from "@site/src/js/download_files.js"; Samples can be imported to chemotion ELN by uploading a simple excel list that contains the structure of the sample as Smiles string. Please add the smiles strings in column A of the file to be imported and please add the description "canonical smiles" as header of column A. -To enable the import into a collection, the desired target collection has to be selected. +To enable the import into a collection, the desired target collection has to be selected. Import of samples is only possible for the user that created the collection. +The export and import of samples is currently supported in the xlsx, csv, and sdf formats. For a more comprehensive import of data into chemotion ELN based on Smiles strings, please see the following example which can be used as a template to import data to the Chemotion ELN. diff --git a/docs/eln/ui/inventory.mdx b/docs/eln/ui/inventory.mdx index f80ff8d8..6608cbda 100644 --- a/docs/eln/ui/inventory.mdx +++ b/docs/eln/ui/inventory.mdx @@ -11,6 +11,7 @@ import { faExternalLink, faFileText, } from "@fortawesome/free-solid-svg-icons"; +import { DownloadBtn } from "@site/src/js/download_files.js"; :::info For using the inventory collection with different users that can move items into or create items in the inventory, please update the system to version 1.1.1 or later. @@ -139,3 +140,41 @@ The Location field is divided into 2 subsections `host location, host group`, wh ![location and information list](/img/location_info_save_chemicalTab.png) User can use `Disposal information` field to save any information related to the disposal of the chemical or use `important notes` field to save any other relative information. User can click the save button, after making any changes or updating any field inside the inventory tab to save the changes. The save button is located at the bottom of the inventory tab. + +## Import and Export Chemicals + +The Import and Export of chemical data functionality has been integrated into the core ELN export/import data feature within the Chemotion ELN platform. For a comprehensive understanding of the fundamental procedures involved in importing and exporting various elements and samples within the ELN system, you can check the [Import and Export data](toolbar?_highlight=xlsx#import-and-export-data-to-and-from-the-chemotion-eln) section. +Users are provided with the flexibility to choose between exporting/importing individual chemical samples or multiple selected samples. This functionality is conveniently accessible through the Export/Import Menu toolbar icon ![Export Menu](/img/action_bar_import_export.png). The export and import of chemical samples is currently supported in the xlsx and csv formats. + +1. [Export Chemicals](#export-chemicals) +1. [Import Chemicals](#import-chemicals) + +### Export Chemicals + + +To initiate the export of a chemical sample, the user is required to select the export samples selection from Export/Import Menu toolbar option. Within the Select Data to Export menu, the user is afforded the opportunity to designate their preferred chemical options for export, in conjunction with the fundamental sample properties that have already been designated. +Additionally, the user can opt to include further sample or molecule properties to the exported sheet. An example of export chemical process is shown below. + +![Export Samples](/img/export_chemicals.gif) + +### Import Chemicals + +To start the import of chemical samples process, users should follow these steps: +- Access the import chemicals to collection option located within the Export/Import Selection Menu toolbar. +- Click the import chemicals to collection menu button to open an interface for uploading the chemical sheet. +- It is strongly recommended that users utilize the provided chemical template below, as importing chemicals necessitates specific data points. In order to import a sample into Chemotion ELN, it is generally required to have at least one of the following columns present in the import data: +Canonical Smiles (Smiles) or Molfile. while the remaining columns are optional, providing more details is encouraged for comprehensive record-keeping. +- Additionally, users have the capability to import safety data sheets into Chemotion ELN by entering relevant information into the designated fields such as safety data sheet and vendor. Please note that this option is presently compatible only with the Merck vendor. +- Importing is also feasible for samples and chemicals that do not possess a chemical structure (referred to as decoupled samples). In such instances, users should indicate the value yes in the column of decoupled. If the sample has chemical structure, it is imperative to ensure that any of the columns relevant to the chemical structure, such as molfile and canonical smiles contain valid data. + +

+ +

+ +Following these steps enables the comprehensive import of chemical samples while maintaining the integrity of essential data for efficient management within the Chemotion ELN system. An example of import chemical process is shown below. + +![Import Samples](/img/import_chemicals.gif) + diff --git a/static/files/import_chemicals_template.xlsx b/static/files/import_chemicals_template.xlsx new file mode 100644 index 00000000..103af98d Binary files /dev/null and b/static/files/import_chemicals_template.xlsx differ diff --git a/static/files/template_sample_import.xlsx b/static/files/template_sample_import.xlsx index 648a994b..c51ae0ed 100644 Binary files a/static/files/template_sample_import.xlsx and b/static/files/template_sample_import.xlsx differ diff --git a/static/img/export_chemicals.gif b/static/img/export_chemicals.gif new file mode 100644 index 00000000..1e40a5a7 Binary files /dev/null and b/static/img/export_chemicals.gif differ diff --git a/static/img/export_samples.png b/static/img/export_samples.png index b06faf98..bdd15f2a 100644 Binary files a/static/img/export_samples.png and b/static/img/export_samples.png differ diff --git a/static/img/import_chemicals.gif b/static/img/import_chemicals.gif new file mode 100644 index 00000000..936f84dc Binary files /dev/null and b/static/img/import_chemicals.gif differ