Release Notes

Freely definable List & Label reports
From this version on, you can assign an arbitrary number of List & Label reports to an existing ensochemLab report. Along with the List & Label reporting software integrated into the software, this new kind of reports provides you with a freely definable display for the base report's data. For defining reports, ensochemLab offers a comprehensive designer.
The new reports are seamlessly integrated into the existing concepts. Their data is automatically updated whenever the base report changes.
Furthermore, you can publish your List & Label reports as public objects or templates for all users. A special management dialog directly integrated into display and editing provides functions for fast and easy handling.

Overview list for standard user administration
The standard user administration module now contains a tabular overview list of all users registered in the system. In combination with the offered sorting capabilities, it enables you to quickly find the entries you are looking for even when site, department and laboratory are unknown.

InfoChem ICEdit supported as chemistry editor
From this version on, InfoChem ICEdit is supported as an editor for all chemical drawing operations. Please note that this in an external product that needs to be licensed and installed separately.

New integrated ensochemEditor 3.0
The integrated ensochemEditor has been updated to version 3.0 which includes a variety of new features including drawing covalent bonds, handling chiral flags and a toolbar for bond topologies.

Configurable permissions for creating public records
Since this version, the administrator can configure whether he wants to allow the creation of public, non-experiment-related records (process description templates, phrases, reports) for normal users. The setting can be configured separately for each affected data type.
If the option is deactivated, users can only create private records that are invisible to all colleagues.
This feature enables you to even better represent corporate policies with the laboratory notebook software while disburdening the administrator at the same time.

Configurable default navigator section
Now every user can configure the navigator section that shall be active (which means automatically expanded) directly after login. All available four sections can be chosen.

Selection of first data field in experiment wizard
When you create a new experiment in the experiment wizard, the input focus is now placed inside the experiment number field whenever it is not automatically generated. This change enables you to directly start typing your data without prior having to select a field.
If you start the assistant with a double click on a data field in the experiment display, this field is still automatically selected as usual.

Automatic PDF page rotation
From this version on, ensochemLab includes an optional setting with which a user can define whether software shall automatically detect landscape pages in PDF documents attached to experiments and print them rotated by 90° if the experiment is being printed in portrait mode. This function has been added for optimally adapting the embedded document to the printout layout which minimizes the necessity of shrinking the page and thus the risk of a noticeable decrease of quality and readability.
Correlatively, if you print your experiment in landscape more, portrait pages in embedded PDF files will be rotated accordingly if the setting is enabled. If the setting is deactivated, the behavior is just as in the previous version: The pages are shrunken to match the page size so that they can be embedded without having to alter the page orientation.

Duplicate name check for public records
When saving new non-experiment-related records (reports, display layouts, phrases, process description templates, and calculation templates) the software now verifies that their names are database-wide unique. As such records are visible to all users the name constraints shall help identifying them and help prevent confusions.

Improved phrase support
The window for inserting text phrases into the experiment description has been extended and now also contains general data (the current date, the current name and the name of the user that is currently logged in) as well as a selection of the most important reactant and product data. Inserting these new values into the description text is completely analogous to the use of own or predefined phrases. Additionally, you can also insert reference texts for associated binary files (“see Layout” for example if you have added a binary file called “Layout”).
For improved clearness, the dialog has been divided into a number of different categories. Each category can be opened / closed and you can now also insert data via drag & drop.
Within the process description dialog, the phrases window is now also available for quick experiment data access.

Replacement warning for tabular data
It is already possible to exchange the tabular data contained in the tabular experiment description, the reaction parameters and the process description with other applications like Microsoft Excel for example via the clipboard. When re-importing the data (that is when pasting it) the user now receives a replacement warning asking him whether he really wants to overwrite his existing tabular records. Optionally, he can also deactivate this warning.

Dialog for saving temporary reports
Users can already create temporary reports that are only valid for the current session and that will automatically be deleted when logging off. From this version on, a warning dialog is displayed if the user quits the applications and such reports exist. The dialog lists all concerned objects and offers features for comfortably saving them into the database.

Accord Draw supported as chemistry editor
From this version on, Accord Draw is supported as an editor for all chemical drawing operations. Please note that this in an external product that needs to be licensed and installed separately.

“Go to” from experiment list overview
It is now possible to directly jump to an experiment from the overview list by either double-clicking on its reaction or using the appropriate context menu command on the folder overview page.

Keyboard Shortcuts
There are now keyboard shortcuts available for a broad variety of commonly used commands within the application. The User's Manual provides you with a complete reference of all shortcuts.
Likewise operations (new reactant / new template / new row…) use the same shortcut in order to minimize the users' necessary learning efforts.

New main menu entry
The main menu now contains a new entry called “List” which contains all list operations that have been located beneath “Experiment” in earlier versions. This change has been done for better organizing the menu.

Configurable default search function
Every user is now able to specify the default search function in his personal settings. The default search is started when a user clicks on the search icon in the main window's toolbar without explicitly indicating a search mode via the corresponding drop-down menu.

Reaction block height now part of a layout
The height of the reaction block in the experiment display is now part of the display layouts which means that it is saved and loaded along with the current layout. The currently used height is applied if the default layout does not define a reaction block height.

Hint window for target molecules
The experiment display now shows a hint window when you move your mouse cursor over the target field in the experiment header or over the corresponding symbol in the product list. The window contains the target molecule's structure as well as all its names (synonyms).

Experiment revision changes can be copied and saved
The dialog that displays the changes to an experiment between two versions now includes toolbar buttons for copying this information to the clipboard and for saving it into a text file. This feature requires the optional version administration module.

User list in the administration dialog can be sorted
You can now sort the user list within the administration dialog by clicking on the corresponding cell in the list's header row. Another click on the header row inverts the sorting direction (ascending / descending).

Owners of public calculation templates are displayed
The hint windows of the calculation template management dialogs now show the respective template's owner alongside with the description. They are displayed every time you move your mouse cursor over of the information symbols in the list.

Automatic calculation settings can be changed in the input sheet
The input sheet (creating and modifying experiments in display mode) now contains functions for changing the current automatic calculation settings.

Import and export of tabular data from / to CSV files
The tabular data included in the process description and the tabular description can be exported into a CSV file from this version on. This enables the user to further process data entered in ensochemLab in other applications like table spreadsheet software or custom enterprise solutions for example. The results can then be easily transferred back by re-importing the CSV file.
The free choice of delimiter and separator within the import and export process enables the software to correctly process all possible CSV file derivates which highly increases the number of third-party applications that data can be exchanged with.

Exporting and importing experiment data
It is now possible to export either reactant or product data into a CSV file. For this operation, the user first chooses the requested mode (reactants or products). Afterwards, the respective records are shown in a list grouped by their experiments and the user can select those he wants to export. An automatic selection of certain types (reagents, targets…) is possible. After a possible external modification, the user can re-import his CSV data into ensochemLab. The new data always replaces the experiments' existing data.
Importing and exporting data is both guided by a comfortable wizard.
Before both features can be used, they have to be explicitly enabled by the administrator.

Additional data fields searchable
The “Query Builder” module and the report generator are now able to search the contents of additional reactant and product data fields. This includes the all data fields defined within the respective administration dialog.
In the reporting module, the additional data fields are linked to their respective category (reactant or product) regarding the displayable data fields.

Toolbar on the experiment wizard's reaction page
All features on the experiment wizard's reaction page that used to be only available in the context menu can now also be found in a toolbar.

Reaction parameters: Proposal list for unit field
The “reaction parameters” page in the experiment wizard has been extended with a proposal list for the “unit” field containing all measure units predefined by the administrators and all custom values that have already been used in the current experiment's description.

Date defaults for tabular description changed
On the “tabular description” page within the experiment wizard, new data rows were always initialized with the current data. For simplifying the belated documentation of already past experiments, this is now only done for the first entry. For all other rows, the previous row's date value is copied.

Navigator animations can be disabled
For slow systems and the use with Terminal Servers, all navigator animations can now be disabled in the user's personal settings.

Public display layouts can be enabled for standard users
In former versions, public display layouts could only be created by administrators. From this version on, this feature can also be enabled for standard users.

Targets:

Metal chemistry functions
Special metal chemistry functions can be requested optionally. These extensions contain the following added data fields:

Additional chemistry search modes
Depending on the chemistry database system used, there are new search modes available when performing a chemistry search. The default database ensochemSearchEngine supports the “exact fragment search”. With this mode, all fragments of a molecule in the database are exactly compared to the search structure. If at least one fragment matches, the respective record is a hit.

More supported binary file formats
In addition to the already supported file types, you can now directly display MOL, RXN and PDF files in ensochemLab and print them out inside your experiment.

Optional reason for restoring old experiment revisions
If the separately available revision module is activated, users can now optionally enter a reason when restoring old experiment revisions.

Additional data fields sorted
The list of additional data fields is now sorted in both the experiment wizard and the administration module. For the display in the administration dialog, the user can change the sorting direction.

Calculation result checking
From this version on, ensochemLab checks (automatic) calculations results for their size. This means that, for example, an error message is shown when a reactant or product value becomes too large to be stored in the database.
Furthermore, you receive a warning when a value is so close to 0 that, in respect to your current decimal display settings, it would be shown as 0.0 in the experiment display.

Calculation Settings
The settings for automatic reference reactant calculation have been extended. If the substance amount changes, you can configure the software to automatically adept the equivalents of all products.
The general calculation settings now contain the option to automatically convert values to match a range between 0.001 and 999. Calculation settings can be combined and saved as calculation templates. These templates enable you to quickly switch between different configuration sets.
You can now also temporarily enable or disable automatic calculation when editing an experiment. After you either complete or abort the operation, the original configuration is restored.

Binary Data
The data fields concerning binary file attachments have been extended, Just like with the experiment description binaries, you can now also enter a title and a short description for analytic and fraction binaries.
In the settings dialog, you can use the “Defaults” page to configure whether the application shall display a preview image, a preview image along with the file name or a symbol and the file name. The list of file formats that can directly be displayed in ensochemLab has been extended by PNG, EMF, GIF, ICO, WMF and TIFF images.

Phrases
Phrases can now not only be used in the experiment wizard, but also in the direct input mode. Additionally, the direct input mode's layout is saved when exiting the application.

Fraction Data
You can open the fraction data editing dialog by double-clicking on the respective chapter in the experiment display. This behavior corresponds to the one of all other chapters in the display which launch the experiment wizard.
The fraction components in chapter “Fraction Details” have been extended by the “Relative Amount” field. On the “Additional Component Data” page, you can also find this field.

Context Menus for Editing Experiments
The process description's context menu now offers the current user name and references to the binary attachments as predefined values.
The reactant and product types can be configured via the reaction's context menu.

Experiment Lists
Finishing experiment lists, changing their visibility, taking possession of them or giving them away to another user can now be done on a whole list of experiments. You do not have to manually change every single experiment any more. This function has to be explicitly enabled by the administrator.

Printing
It is possible to print all experiments within one folder with one single menu command. Additionally, you can use the print preview to print dedicated pages of an experiment. These functions have to be explicitly enabled by the administrator.

Experiment Cache
The maximum size of the experiment cache can now be configured on the “General” page within the settings dialog. You can either set a maximum number of experiments or limit the memory size to a number of MB.
The current experiment can be reloaded from the server by pressing F5.

Reports
In order to improve the overview capabilities when working with reports, the navigator now contains a dedicated group for storing reports. However, it is still possible to store reports in the “Own Experiments” group.
The application now also supports temporary reports that are not stored in the database and that are discarded when enswochemLab is closed. Permanent reports can be marked as public so that other ensochemLab users can also display them. For better describing public or private reports, you can enter a comment.
With these improvements, the report data format has been changed, too. This means that when you first start the new ensochemLab version, a wizard will be displayed which will guide you through the conversion process from the old format into the new one. In a separate dialog, all existing reports are displayed in an overview. You can use drag & drop to copy them into your navigator.

Drag & Drop in the Navigator
Navigator entries cannot only be moved, they can now also be copied by holding down your control key. They are inserted at the position where you have released your mouse key.
Drag & drop is also possible over different navigator groups. You can, for example, move an entry over the “Own experiments” group and store it there. Navigator groups and folders are automatically opened when you pause with your mouse cursor over a group or folder a little moment while moving entries via drag & drop.

Tabular Description, Reaction Parameters and Process Description
The complete tabular description data, reaction parameter data and process description data can be wholly copied into other applications like Microsoft Excel via the clipboard. The tabular structure is retained. This extension also included importing the data back into ensochemLab. When inserting data with a column number mismatch, a warning message is displayed. However, you can also disable this warning. For preventing unwanted data insertion from other applications, you can also undo this command.
The process description now contains the new “Multiline Text” data type which can be used for storing text that contains multiple lines.

Protocol and Version Information
Protocol and version information is now regarded as a direct part of the experiment and is thus contained (and printed) as a chapter in the experiment display. Both kinds of data can be exported into text files.

Administrative Settings

Integration of Microsoft Word and Excel
You can now create and modify Microsoft Word documents and Microsoft Excel spreadsheets directly from ensochemLab without having to manually export and re-import them. The experiment display and printout has been enabled to include them into your experiment just like image files.

Additional User-Defined Data Fields
With a special administration dialog, you can now specify your own additional data fields for reactants and products. You can import this data into the integrated reagent catalog from an arbitrary SD file.

Phrases
ensochemLab now supports predefined phrases for your experiment description and other text fields. A phrase is a part of a text that you have saved so that you can re-use it in other texts later by one simple click without having to type it all again. Besides the user-defined phrases, an administrator can also define common phrases for all users.

Integrated ensochemEditor
With ensochemLab 3.0 you get the integrated ensochemEditor, mit for comfortably drawing reactions and molecules in highest quality.

Change Tracking in Revision Module
In the revision management plug-in, there is now also a function to compare two versions.

Automatic Calculations
ensochemLab 3.0 supports automatically calculation reactant and product values. You configure which values it shall adapt if you change one value and the application will from then on automatically calculate them whenever you change something.

Report Wizard
The Report Wizard easily guides you even through complex research requests in your ensochemLab database. Search within all data fields including chemistry in an arbitrary combination and afterwards display only those fields which are important to you in a report. Save your query and create always current live updates with just a few mouse clicks.

MySQL Support
MySQL is now a supported target database for ensochemLab and acts as the low-budget alternative database for structures as well as alphanumeric data.

Colored Chemistry Display
Get a fast overview over your reactions with the new colored highlighting features in ensochemLab. With reactants, you can highlight rectants, reagents, solvents and catalysts. With products, you can mark core products, byproducts and target molecules. With these functions, even large reactations can be handled easily. Find the information you need while others are still searching for it!

Simplified Fractions Dialog
Work more efficient and even faster with the new, simplified fractions dialog. Restrict the application to the steps you really need. As soon as you want to access the rest of the options, you can seamlessly switch back to the extended mode!

Load-on-Demand for Binary Data
Don't spend time waiting for your experiments. With ensochemLab 2.1, binary files are loaded as they are actually needed if the exceed a configurable file size.

Microsoft SQL Server Support
Microsoft SQL Server is supported as a database system for structures, reactions and alphanumerical data.

Workgroup Edition
ensochemLab Workgroup Edition is the laboratory notebook software for small workgroups and mid-sized companies. The MSDE database shipped with the software offers a free database server without any additional installation and configuration effort. Available as a license for 5, 10 or 15 users.

Personal Edition
With ensochemLab Personal Edition, single workplace users can profit from newest technologies for reasonable prices. Manage your experiment just like the experts do - with all functions of our Enterprise Edition software!

User Administration
With the comfortable ensochemLab user administration module, you can easily define user rights based on sites, departments, laboratories and users when creating new experiments.

Drag & Drop in the Navigator
In the redesigned navigation menu, you can now find the experiment status and can then use our Drag&Drop functions along with the multi selection in order to manage your experiments as easily as never before.

Process Description
The process description offers a much more flexible form of our formatted experiment description. In your process description, you can freely define all columns. Supported types are text, numbers and logical values as well as date and time fields. For different workplaces, you can create separate templates that contain your field definition and can be applied for the respective process descriptions.

Different Display Layouts
In addition to the default layout, users can now create their own display layouts which could be a special one for analytic inquiries or patent issues for example.

New Print Preview Mode
It is now possible to print and print preview an experiment on one single page.

Calculation Page
The experiment wizard has been extended with a function that displays all reactants and products in an overview list. When modifying one value, all dependent other values are automatically recalculated and displayed.

Reagents Database
ensochemLab now includes a reagent database that can be used by choice and extends the current solvent and catalyst list. The reagents database enables you to save reactants with their structure, density, molar mass, CAS number and much more. Associated with it, there is an auto-filling function. When entering a reactant name in the experiment wizard, it automatically offers reactants from the database without you having to enter the whole reactant name. After a special question box, you can also apply the database record to your current reactant.

Fractions
ensochemLab now also supports fractions. You can define spezial reactants and products within one experiment as fractions and use the mass or area spreading in percent from within your analysis system as a base for yield calculations.

Physical Data
You can now add further chemical and physical data like melting point, boiling point and refraction to specific molecules like reactants and products.

Editing Experiments in Display Mode
It is now possible to create and modify experiments outside the experiment wizard directly in the display frame.

More flexible Print Preview
The print preview now offers an even more improved scalability of the preview mode along with certain other options like “all pages on one page”, “multiple pages below each other” and more.

InfoChem Cartridge as Chemistry Database
ensochemLab now supports the InfoChem Cartridge as a chemistry database for reactions and molecules.