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The Details Modal

Caution

This page is still being edited and reviewed.

The details modal or details window is opened by clicking on the desired element from element lists. It shows the information about the element that is stored or available through external databases such as PubChem. The modal/window can be set to full screen mode. Its frame is identified by two colors: dark blue and light blue. The color light blue means that changes have been made within the modal, but they have not been saved yet. If this is the case, a small save symbol also appears in the modal bar . As soon as you have saved all the entered data, the frame color changes to dark blue and the symbol disappears.

Frame

There are three different types of fields within the details modal:

  • Fields for freely entering either text or numbers. Example: sample's Name and Description.
  • Fields with predefined drop-down menus to pick from. Example Solvents.
  • Fields with data made available from other databases and applications based on your structural input. Example: The calculation of the sum formula or the generation of the SMILES.

Tabs were introduced to organize the information within the details modals. They enable information structuring and displaying as in folders. Different tabs are available based on the type of the element. Tabs can be made visible and invisible. This will become clear in the later chapters.

Users can config their own tabs, these tabs can be hidden or shown in user's preferred ordering. By clicking the small blue symbol on the right of tabs, drag and drop the tab to change the ordering or in the dark block to hide the tab.

Change_Tabs

Details modal for samples#

Details modal Once you have entered and saved the structure of the sample, either with Ketcher or using the Chemical identifiers from the Properties tab, some additional information will be provided automatically. This applies to all information that can be generated by Open Babel based on the structure of your sample (sum formula, molecular weight). Likewise, the name of your molecule and its exact mass are created automatically, as far as the molecule is known via the PubChem database and this information is available, along with symbols of chemical safety. More details about chemical safety is provided as a link to PubChem too.

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Internal remark TO DO: Info to be added image of the sample frame and information

Properties tab#

Sample properties The first tab (in the standard Chemotion ELN configuration) that allows the description of samples is the Properties tab. In the Molecule field, the user can pick the preferred naming convention for a molecule or write a new one. Users can also specify the absolute and the relative configuration of the molecule in the fields Stereo Abs, Stereo Rel respectively from drop-downs. The descriptors for sterro information are recommended if the chemoinformatics tools of the Chemotion ELN (such as structure editors and toolkits) don't support full identification of the stereochemistry. The information on the given stereoconfiguration is added to the information that is used to structure molecules in the molecules' list. It allows e.g. the differentiation of different paracyclophane isomers or other planar ciral molecules which are usually hard to distinguish by chemoinformatic toolkits. Decoupled mode: Selecting decoupled in the properties tab allows to draw structures in the embedded structure editors without the generation of identifiers and calculation of molecular mass. The user is then asked to add the molecular mass and the formula of the molecule to an additionally appearing interface. This gives the option to use the samples in the reaction table even though the automatic mass calculation is disabled. The function can be used for all types of molecules for that:

  • the structure editors fail (e.g. large structures such as macromolecules)
  • contain undefined parts which cannot be explicitly drawn (such as polymers)
  • materials that contain compound mixtures
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The decoupled mode can help to add undefined strucutres to the Chemotion ELN. Please add "undefined structure" (default) as Sum formula if the structure is not known.

decoupled mode properties

Decoupled_sample

Top secret mode: In the properties tab, the users can mark their confidential data as Top secret. The top secret mode affects the sharing of data with others. Top secret samples cannot be shared with full information.

If you want to assign a name (e.g. a trivial name) to a sample, you can do this by making an entry in the Name or Description fields. Please note that the Name field for samples from reactions is overwritten by additional information. Your created sample will have the selected name, but when a new sample is created by dragging and dropping it into a reaction scheme, the Name field will be overwritten. Please refer to this link for more details on samples generation from other samples. If you want to save a second or more names for your sample permanently, use the Description field.

Caution

The Name field within the Sample Properties tab is overwritten for samples that represent products in a reaction, because it is required to generate a product name.

In addition to the naming options, an External label can be saved for each sample. This External label should be used to enable your sample to be assigned to another storage system. For example, if you make a sample available for a reference database or send it to a cooperation partner who renames your sample, your sample will receive a sequential number that is not determined by you. Enter this number in the External label field. For participants in the Molecule Archive of the Compound Platform, the External label field is reserved for the X-Vial numbers of the samples.

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The Molecule Archive of the Compound Platform is an infrastructure that supports scientists to store their compounds centrally and provide the compounds for diverse re-use cases. If you are interested, please have a look at the website of the Molecule Archive and get in contact to the Compound Platform team. Its free for all chemists from academia.

Both Boiling point and Melting point can be provided manually in Celsius °C. If the melting or boiling point is to be added as range, please add the first value, space and second value, e.g. "50 60". this is automatically set to 50 - 60 °C by the system.
The user can additionally provide any desired information as free text in the Description field and specify the location of the samples (e.g. institute, warehouse, etc.) in the Location field.

Values affecting the reaction calculation table: The Amount can be provided either as mass or in mols, where providing one of them leads to automatic calculation of the other based on the Purity (1 by default but can be modified). Mass unit can be either g or mg, while amount unit is either mol or mmol. Volume data can’t be edited until Density or Molarity are specified, then the volume is automatically calculated. Changing the volume manually leads to automatic changes in the mass and amount.

Caution

Values such as mass/mol/volume in the sample properties are referring to the sample used in a reaction or for another experiment. They are calculated as component for an experiment based on Density or Molarity depending on the use of the pure substance or a stock solution. The calculation of a molarity of the stock solution is not done in the properties field. Volume (solvent) and amount (molecule) are not used to calculate the molarity, the molarity, if required for dissolved materials, has to be added manually in the properties tab.

Density or Molarity are not calculated in the properties tab of the sample. The information comes from external sources or is added as a result from other experiments. The user can enter only density (for pure substances) or molarity (substances in solution).

Solvents can be specified from a predefined drop-down or can be added per drag and drop from the molecules' list. Solvents can be added with a ratio of the solvents if several of them are present.

The Elemental composition is automatically calculated based on the formula, but the user can still provide their experimental numbers in fields that correspond to each atom in the molecule.

The information required for chemical use is supplemented by Chemical identifiers such as InChI and InChIKey (clicking on the InCHI/InChIkey button alows to switch), Canonical SMILES and CAS number. Molecular structure is also provided in the Molfile format. You can provide the Canonical SMILES to create a new Sample, but you can’t modify the SMILES after creation (vice versa, SMILES is changed of the molecular structure changes). The other identifiers can only be copied after a Sample is created, and they can’t be used to generate Samples.

InChI_IncHIKey

Analyses tab#

Analyses

To add analytics information to the Chemotion ELN, the Analyses tab is available. Here the evaluation of the performed analytical experiments can be entered (field Content) and additional files can be uploaded to store the data and its documents (see datasets). The Content field supports the check of the entered data for types of data (data types are confirmed by the ontology terms). For 1H NMR and 13C NMR, the Content field is checked for the given amount of 1H NMR or 13C NMR signals mentioned and compares the given number with the number of signals expected by the amount of H- or C-atoms.

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The content of 1H NMR and 13C NMR analyses id checked by screening the information on atoms given in brackets, e.g. 1.11 (s, 3H) -> 3Hs counted. Therefore it is important to add (which is rather unusual) all carbons to the content, e.g. 129.3 (s, 2C). Also, id signals are hidden or too broad to be detected or not detected due to H/D exchange, you may indicate this by adding a sentence as explanation: e.g. Missing OH-signal due to H/D exchange (1H). The information in brackets is also counted.

For mass spec, the expected molecular mass is used for a comparison with the data given in the Content of the analysis.

If the Content of the analysis fits to the expected data (calculated from the molecular structure) a green hook is indicating the fitting content.

1H NMR analysis

1H Green Hook

13C NMR analysis

13C Green Hook

Reference: https://dx.doi.org/10.14272/HGMIATOQJCNPOO-UHFFFAOYSA-N.1

You can create as many analyses for a sample as you need with the button , and for each analysis you can upload as many datasets (files) as you want with the button . Please pay attention to the structure of the data storage and take care of the input fields, this will allow you to search your results quickly. Any information that you define through the created fields is available to the Chemotion ELN for processing and this data can be displayed or summarized in lists.

The uploaded records can be supplemented with information in an input modal available for each data file. The input modal opens either when you create a new data record, or when you click on the link generated by the name of existing data records.

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The Chemotion ELN uses analyses, datasets and attachments to structure analytical data. Please ensure that you use it in the intended manner (see description below)

Intended structure of added analytical data to the Chemotion ELN An Analysis is ceated for every new measurements type that is done. A Dataset is created for every different measurement within a certain measurement type. Example: User measures 1H NMR data (one analysis tab created). After doing an experiment with 16 scans, the measurment has to be repeated with 64 scans. Both measurements/experiments are stored as different datasets in one analysis tab. Also 1H NMR experiments in different solvents should be added as additional dataset to one analysis. Attachments are defined as data files that are created for each dataset. There can be different data files that are attached as attachment to a dataset as probably proprietary data files come along with open or readable data files and raw data are provided and stored along with edited data files. The Chemotion ELN processes support also different file conersion procedures. They result also in an increased number of stored attachements. One example is the creation of image files to support the preview of data. Images can be one additional attachment to an existing dataset.

Analyses that you have entered are shown in short form e.g. in the sample list, and you can find out at a glance which data you have entered. The illustration shows the sample list with symbols such as or . The first case means that you have set an analysis for the analyzed sample, but its Status is so far Unconfirmed. The second symbol informs you again about an existing analysis whose Status has already been Confirmed, and therefore, it is classified by you as correct. The number given always refers to the number of analyses, not to the number of uploaded data files. If analysis have no status, they are not visible in the samples' list.

The analysis methods, from which you can choose, are given by the drop-down menu Type (Chemical Methods Ontology). Please ensure that you add the ontology type.It is required for adding data to the chemotion repository in the end.

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Choosing an ontology term is required to enable the transfer of data to the chemotion repository. Without added the chemical methods ontology, the transfer won't be successful

You can delete your datasets from your analysis by clicking , or install it as a zip file with . You shouldn't forget one important property of the Chemotion ELN: the uploaded data files and entered information are not saved until you confirm that with or . This point if overlooked can lead to the loss of the data you have set.

Literature tab#

Literature

The Literature tab allows you to manage your literature and link it to your Sample. You can specify as many references as you find needed. It is possible to specify the reference either by its DOI or ISBN, or by giving it a title and a URL. In both cases, you can add whether this reference is citing you or cited by you. When all details of a reference are entered, press . Once a reference is created, it cannot be edited, it can only be deleted, so if you need to edit a reference, delete it and create a new one.

The created references are added to a list and they are shown in blue to indicate their functionality in linking to some resources by clicking on them. Each reference can by copied using , which will copy the information provided in the list. Additional details about the reference, as by whom it was created and whether it is referring to or cited by you, can be shown by pressing the button , which also shows the delete button . Don’t forget to save your changes with .

SciFinder tab#

The SciFinder function can be found in the SciFinder Tab, it provides "exact", "substructure" and "similarity" search.

SciFinder Tab

User can easily press the button to execute "exact", "substructure" or "similarity" search, and the result shows as:

SciFinder Result

If the SciFinder crediential is not set up properly, a message "The query could not be processed. Please check your access token in the Account setting" shows.

SciFinder Error

Results tab#

This tab is not supported at the moment as it is still being developed.

QC & curation tab#

QC & curation tab

The QC and curation tab is part of the beta-testing of the Chemotion ELN. You may use it to gain additional information on your data. The QC and curation tool uses data from the Content of the analysis (checks the calculated 1H NMR and 13C NMR data as well as mass data as described above for Content). The feature uses also information directly from the data files that were aded to the Attachments of the different Analyses and extracts information that is compared to either simulated data (1H NMR and 13C NMR data) and evaluations done by machine learning tools (IR data). Requirement for running the QC and curation tool is the definition of the ontology to define the type of the measurement that is used for the analysis. Another part of the QC and curation checke is the check for availability of open file formats. The tool checks the attachments for file types JCAMP, MzML, MzXML (either added by the user or created by the Chemotion ELN processing functions). A detailed description of the feature will follow.

Details modal for reactions#

Scheme tab#

The Scheme tab initially contains the scheme of the selected reaction. While the molecular structure of samples (in samples details modal) can be edited by selecting the structure field and opening the Ketcher editor, the reaction Scheme (the image) cannot be changed directly. If the user wants to change a reaction, one has to select the embedded samples and change their structure or use other samples.

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Changing a reaction is not possible by directly changing its scheme, rather it must be carried out indirectly by selecting or changing the samples.

The following figure shows a typical reaction Scheme with a reagent table. No solvents nor reaction temperature have been added yet. In general, you cannot edit grey fields in the reaction table.
Reagents_table The used samples are classified into Starting materials, Reactants and Products. The samples can be moved flexibly from one category to another with drag & drop symbol . This grouping causes functional differences: The difference between the Starting materials and the Reactants lies in the way their corresponding samples are treated upon generation. This will become clear later on in this chapter when discussing adding samples to a reaction. Regarding the Products, their fields can only be modified to a limited extent to avoid misuse of the journal. Certain fields that can be obtained from the received quantity of the product are not open for input. The Products have a special treatment within the reaction, for example the analyses of the corresponding samples are stored and can be found in the Analyses tab.

A reaction can be populated with samples in two different ways:

  1. Create new sample: Reaction create smaples

The user can create new samples by pressing in the corresponding category Starting materials, Reactants or Products. In this case, the Starting materials and the Products samples will be added to the samples list. The Reactants will be saved as samples, and they are initially displayed in the samples list, but when you save the reaction and reload the page, all Reactants are not displayed in the list anymore in order to avoid unnecessary accumulation of samples, which are very often used as reactants. The Reactants samples are still accessible from within the reaction Scheme by pressing the reactant name. The Reactants can be selected from the drop-down menu Reagents, and they are also not added to the samples list.

The creation of samples does not directly result in a representation in the reaction scheme. Please save the reactin once after adding samples to it. After saving the reaction, all added samples appear also in the image of the reaction scheme.

Recommendation

If you want to see a reactant displayed in the samples list, change its status from Reactants to Starting materials. By definition, Reactants are not displayed in the samples list.

  1. Select samples from the samples list: Reaction drag samples

The user can select samples from the samples list if they are already there and drag and drop them using either one of the symbols next to its molecular structure or next to the sample name and place the sample in the reaction. If you only want to adopt the molecular structure, then the symbol next to the molecular structure in the sample list must be used for the drag & drop action. The internal process here corresponds to the **copy** action. If you want to carry out a reaction that uses existing samples, e.g. carry out a subsequent reaction and use a product from a previous reaction as starting material or use a chemical from a chemical container, then you should use the symbol next to a sample name in the sample list and place the sample in the reaction using drag & drop. A split of the sample is generated internally in the system (recognizable by the generation of the sample number). This applies only to the Starting materials as dragging and dropping of samples to the Reactants section doesn‘t add anything to the samples list. Splitting is not possible for products, as they always have to be recreated, but copy is possible.

The user can choose either the Starting materials or the Reactants as a reference using the Ref switch. As a result, the selected reference is automatically assigned an equivalent Equiv of 1.000. Several Starting materials and Reactants can be added, but only one sample can be marked as reference material.

Mass can be represented in g, mg or μg, the volume in l, ml, μl, and the amount in mol or mmol. Entering one type of data leads to automatic calculation of the others. The volume is calculated only if the molarity of the sample is already set (please set it in the properties tab of the sample, accessible directly via click on the sample's name -> sample modal opens), and the equivalents are calculated unless the sample is a reference, then it gets a fixed equivalent of 1.000. By entering the mass, volume or amount of the reference, the remaining information for the further samples is calculated as soon as at least either the amount or the Equiv is given for them.

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When entering the amount of your sample, you can decide which unit you want to use by pressing the unit button next to the number. Additional information on samples such as Molarity, Purity and others need to be added in the Properties tab of the Sample and cannot be added to the Reaction Table entry directly.

Caution

The calculation and display of the volume can only be correct if the molarity of the sample has been entered correctly and precisely in the sample.

An additional function is included within the reaction table, allowing to differentiate between reaction planning and implementation. You can find the function under the title T/R. means that you can enter/ calculate inputs according to the reaction planning. If you switch from , you can enter the quantities actually received. This function was created so that in the event of a deviation (e.g. due to accuracy in the dosage) from the planned experiments, the values of both procedures are still available.

Reaction solvents The solvents can be introduced by expanding the grey area Solvents. The user can either pick a solvent from the drop-down Default solvents, or can use a sample as a solvent. Solvents added as a sample are stored as a reactant sample, i.e. the solvent can be created with , but it is not displayed in the samples list. If the sample is already in the samples list, it can be dragged and dropped with , but no copy or split happens.

The solvent can be given a Label which is transferred to the reaction arrow when updated by the symbol . When specifying the solvents volumes **Vol** (in l, ml, or μl), the molarity of the reaction mixture **Conc** is automatically calculated based on the individual samples in the reaction table. You can add as many solvents as you want. If you are using more than one solvent, the volume ratio **Vol ratio** of the solvents to each other is displayed. You can also distinguish between solvent details in the planned and implemented reaction with (planned) and (implemented). Samples and solvents in a reaction can be removed from the reaction using the button .

In the gray area Conditions, the user can Select special conditions required for the reaction from a drop-down menu. Those conditions include UV, microwave, ultrasound, visible light. The selected conditions are added to a field where the user can additionally add other conditions as free text.

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Internal remark TO DO: showing the conditions in a gif would be great

Out of the Conditions area, the user can give their reaction a Name and describe it with a Status from a drop-down. The Status is reflected in the list of reactions by a symbol, so you can see at a glance your evaluation of the reactions. The following table shows all the possible Status and the corresponding symbols.

symbolstatus
planned
running
done
analyses pending
successful
not successful

The temperature of a reaction is inserted via the Temperature field. If a Temperature has been defined, it is also displayed on the reaction arrow. When entering the temperature, you can choose between the Kelvin K, Celsius °C and Fahrenheit °F scale. Enter the temperature in the given scale and switch to the desired unit. You can also enter a complex temperature profile by selecting the graph symbol for the temperature field . A window opens that allows you to enter temperature changes with time, and it displays those changes in a chart. Use + to add a temperature change and – to remove it.

The user can specify the Duration of the reaction by adding its Start time and Stop time with the following format: DD/MM/YYYY hh:mm:ss or DD.MM.YYYY hh:mm:ss, then the Duration is automatically calculated. The user can also input current time with the button. The calculated **Duration** can be copied with , or rounded to the next field either in Week(s), Day(s), Hour(s), Minute(s), or Second(s).

The Type of reactions can be chosen from the Name Reaction Ontology drop-down. The selection of an ontology is required if the data should be added to the repository chemotion, it is also recommended for all other reactions. Also the a Role can be assigned to a reaction. Available options are General Procedure, Parts of GB, and Single. The assignment of a role gives first of all an information that is reflected in the reaction list and allows an easy identification of e.g. general procedures in the list. the role assignment is also important for the use of the reporting function. The reporting function separates general procedures from reactions that were done according to a general procedure and reactions that are described as single (independent) reactions without assignment to a general procedure. For reactions that are Parts of GP (Parts of General Procedures), the description is not added to the reporting as it is assumed that the description of the reaction is the same for reactions done according to general procedures. In these cases, it is important to add the purification details to the field "additional information for publication and purification details" as this information is given in the reporting anyhow.

The Description field is intended for recording your reaction implementation.

For a quick overview of the Purification methods that you have used to isolate your target compound, a drop-down menu Purification has been introduced. The methods Flash-Chromatography, TLC, HPLC, Extraction, Distillation, Sublimation and Crystallization are available. The selected methods are lined up as a list. Purification Solvents can be added, and they are treated exactly the same way as the reaction Solvents. Description of the purification process can be included in the field Additional information for publication and purification details.

Finally, the user can the reaction, without saving, or as an xlsx file. This applies to all the other tabs.

Properties tab#

Reaction properties

The Properties tab allows you to enter further details on the reaction. In addition to the fields Name, Status, Temperature, and Type (Chemical Methods Ontology) that are already mirrored in Scheme tab, new fields are introduced such as Dangerous Products where you can list whether dangerous substances occur in your reaction and classify their hazard from a drop-down menu.

In order to be able to reproduce the control of a reaction via thin-layer chromatography, two fields have been developed which are supposed to store the solvents used and their ratio on one hand, and the Rf value of the target product of the reaction on the other hand. Please enter the solvent information in the Solvents (parts) field and enter a space then the ratio of solvents to each other according to this example: ethyl acetate/hexane 2:1. You can also provide further details about your thin layer chromatography in the Description field, e.g. the shape of the spots, or special features of the implementation. Here you can also state how the compounds were identified, i.e. which staining solutions were used or which wavelength was selected for the UV detection.

References tab#

The References tab of a reaction is identical to the Literature tab of a sample. It allows you to manage your literature and link it to your reaction. You can specify as many references as you find needed. It is possible to specify the reference either by its DOI or ISBN, or by giving it a title and a URL. In both cases, you can add whether this reference is citing you or cited by you. When all details of a reference are entered, press . Once a reference is created, it cannot be edited, it can only be deleted, so if you need to edit a reference, delete it and create a new one.

The created references are added to a list and they are shown in blue to indicate their functionality in linking to some resources by clicking on them. Each reference can by copied using , which will copy the information provided in the list. Additional details about the reference, as by whom it was created and whether it is referring to or cited by you, can be shown by pressing the button , which also shows the delete button . Don’t forget to save your changes with .

Analyses tab#

The analyses tab of the reaction view differs from the analysis tab of the sample view in essential ways. While a samples can always have analyses, reaction Analyses can only contain Products samples that are supported by analyses. The Analyses tab of the reactions therefore only shows analyses by means of a link. To edit the data, the link (name of the product sample) to the analysis of the sample must be followed.

Green chemistry tab#

This tab contains fields for green chemistry metrics to quantify the environmental performance of your reaction. Those fields are Simple E factor (sEF), Complete E factor (cEF), Custom E factor, Atom economy (AE), Custom Atom economy. Those metrics are calculated automatically based on the masses of the samples in your reaction, and the waste produced through it. All the reaction samples are shown again in the Green Chemistry tab, with directly unmodifiable details about their Mass, Volume, Moles, and equivalents Eguiv. To modify those fields you need to go back to the corresponding sample and update the numbers, while you can modify the coefficients field Coeff directly from the Green Chemistry tab. The user can specify whether the Starting Materials and the Reactants are Recyclable, and they can specify whether their Products are Waste with a checkbox. If you are facing any problems with ticking the checkbox, make sure that you are using Chrome, and try to save the reaction and reload the page.

Scifinder tab#

Not available at the moment.

Detail modal for wellplates#

Designer tab#

Wellplate designer Wellplate well

The Designer tab graphically displays the wells and shows how they are filled with samples. Since the representation of the individual samples may not be sufficient for some applications due to the limited space, it can be enlarged by selecting the appropriate well within the designer, which provides insight into selected information on the underlying samples and their sample number, Readout and Imported Readout. It also enables deleting the sample from the wellplate with the button . The Readout field can’t be edited from within the Designer tab, but rather from the List tab, while the Imported Readout can be edited from within the sample’s details modal from the Results tab.

List tab#

Wellplate list

the List tab can be used to organize the samples collected in the wellplate. All inserted samples appear automatically in list form according to their assignment in the Designer (Position). The table of the list also contains the information about molecular structure (Molecule), Name, External label, Sum Formula, Readout and Imported Readout. The Readout field values are displayed again in the Designer tab when selecting individual wells.

Properties tab#

Wellplate properties

Properties tab allows you to enter additional information about a wellplate, such as a Name, its Size, which is fixed as 96 at the moment, and a Description.

Analyses tab#

You can create as many analyses for a sample as you need with the button , and for each analysis you can upload as many datasets (files) as you want with the button . Please pay attention to the structure of the data storage and take care of the input fields, this will allow you to search your results quickly. Any information that you define through the created fields is available to the Chemotion ELN for processing and this data can be displayed or summarized in lists.

The uploaded records can be supplemented with information in an input modal available for each data file. The input modal opens either when you create a new data record, or when you click on the link generated by the name of existing data records.

The analysis methods, from which you can choose, are given by the drop-down menu Type (Chemical Methods Ontology). You shouldn't forget one important property of the Chemotion ELN: the uploaded data files and entered information are not saved until you confirm that with or . This point if overlooked can lead to the loss of the data you have set.

You can delete your datasets from within your analysis by clicking , or install it as a zip file with

Detail modal for screens#

In the future, it should also be possible to use the Chemotion ELN for the documentation of biological experiments. The structure of this biological work should be possible through the element Screen. All descriptions and procedures of biological work for a planned experiment are recorded on a screen while the wellplates define the localization of the substances and materials used. Wellplates can therefore also be assigned to the individual screens in order to make their affiliation clear.

So far, only a rudimentary structure for entering the screens has been programmed. The further development is an important task within the project in the coming months. The most important data of a biological study can be saved by entering free text in the Name, Collaborator, Requirements, Conditions, Result and Description fields. The allocation of the wellplates required for the examination can be done via drag & drop directly under the heading Wellplates. The selected wellplates are added and are directly available through a link.

Detail modal for research plan#

Reseach plan

A research plan is a generic element that can be used in a flexible manner to describe a particular process. The research plan contains a Name, and there are plenty of fields that can be added in the form of text (Add Text Editor), tables (Add Table Editor), images (either a molecular structure with Add Ketcher Editor, or a regular image with Add Image where you can control its Zoom ). You can add other elements such as samples (Add Sample) and reactions (Add Reaction) with drag and drop. The order of the segments added to the research plan ccan be changed by drag and drop.

The reserach plan has an edit and a view mode. The view mode offers options to export the information to different file formats (.docx, .odt, HTML, Markdown, LaTeX).

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Internal remark TO DO: gif showing export functions

Research plan table functions#

Add/remove column and row#

You can add or remove column and row by right-click on the table body. Then you can choose the action you want to make.

Reseach plan

Reorder/sort column and row#

Reorder:

  • You can reorder row by click on the icon in each cell and drag-drop.(You cannot reorder row when in sorted mode)

  • You can reorder column by click on the column header and drag-drop.

Sort:

  • You can sort by column by click on the column header.

Reseach plan

Rename column#

You can rename column by right-click on the column cell and choose 'Rename column', the rename popup will apear. Then input the new name and click 'Rename column' button.

Reseach plan

Manage table schemas#

  • When you want to store a table schema:

    • Click on 'Table schemas' button.

    • The 'Table schemas' modal will appear.

    • Then input the schema name and click 'Save' button.

Reseach plan

  • When you want to apply a table schema:

    • Click on 'Table schemas' button.

    • The 'Table schemas' modal will appear.

    • Click 'Use' button to apply the table schema name.

Reseach plan

Last updated on by Jan C. Brammer