PerkinElmer Signals™ Notebook - What’s New

What’s New

This release of Signals Notebook brings some integration improvements, some capabilities to reset materials libraries and improvements to Inventory capabilities. We have also fixed a number of small bugs.

The following are available for users of Signals Notebook Individual Edition, Signals Notebook Standard or Signals Notebook Private Cloud

• Usability Improvements
• • –  Additional units for pressure
  • –  Additional solvents
  • –  External hyperlinks are clickable links in the exported PDF

The following improvements are only available for users of Signals Notebook Standard and Signals Notebook Private Cloud

• Usability Improvements
• • –  Attribute values aren’t copied if the user does not have an association to that value
• Integrations
• • –  External data/chemical sources identify the user making the call
  • –  Notifier API for entity creation events
  • –  Custom action to intercept reviewing events
  • –  Delete entity endpoint
• Parallel Experiments
• • –  Non reacting fragments are stripped from products during enumeration
• Materials Improvements
• • –  All records from a library can be removed and the counter returned to start
  • –  All fields for an OOTB library can be reverted to their original state
  • –  Fields that have never been used can be deleted
  • –  Custom libraries can be deleted entirely
• Inventory Improvements
• • –  Create multiple containers at once
  • –  Updates to Amount
  • •  New Update Amount button
  • •  Ability to choose count in dropdown
  • –  Updates to Search in Signals Notebook

We also fixed several small bugs in this release. Details of the enhancements are described below.

This content is anticipated for release for Production E3 customers in November 2021.

Further Details

Usability Improvements

We have added additional units to the set of Pressure units available within Reaction Conditions, specifically mbar, Torr and psi.

We have also added to the list of available solvents.

External hyperlinks included within content, either via experiment properties or as properties in Samples or Tables, are now included in the exported PDF as clickable hyperlinks rather than plain text.

The following improvements are only available to users and administrators of Signals Notebook Standard and Private Cloud and are unavailable as part of Signals Notebook Individual Edition.

Usability Improvements

Attribute values are now only copied when an experiment is copied if the user has an association to that value. When they do not have an association the attribute value is remove and the user will need to set a new value.

Integrations

External Data Sources and External Chemical Sources can now be configured to pass over the username and/or user alias for the user initiating the API call through a connected Admin Defined Table or the QuickAdd toolbar in ChemDraw Reactions.

The Notifier API has been extended to provide notifications when certain entities are created. Notifications can be posted to an external URL and/or available in a log via our public API. Notifications can now be generated for the creation of Notebooks, Experiments, Requests, Parallel Experiments, Samples, Tasks, Admin Defined Objects and Materials.

The External Actions capability has also been extended to allow organizations to intercept reviewing events for analysis in an external application. This extends existing capability which allowed interception of other signing events such as Close, Sign and Assign Witnesses and Sign and Close. This extends this capability to all signing events including Accept, Reject and Reopen.

We have also added a Delete Entity API endpoint.

Parallel Experiments

Grouped non reacting fragments are now stripped from the enumerated reactions in Parallel Experiments. If a given reactant for one of the variable components has a grouped fragment, such as a salt or a solvate, that is not matched as part of the generic reaction, it is removed from the products upon enumeration.

Materials Improvements

Materials Libraries can now be reset or completely deleted. If a library is provided as part of our default configuration, the administrator can choose to either delete all records, reverting the counter back to the start, or to also revert all configuration of custom fields back to initial configuration also. If the library is a custom library added by the administrator, the admin can either remove all of the records or delete the library entirely.

Additional, unused fields can be deleted from the field definition of libraries. Once they have been used however they cannot be deleted and can just be hidden.

Inventory

Create multiple containers at once from the Materials Library:
When choosing the Add Container from the Materials Library, the Add Container dialog will launch.

At the top, enter the number of containers you would like to make. The Material, the amount, the container type and security (Project in the example) will all be the same.

If you are using your own barcodes, you can make the adjustments before you finish the container creation workflow:

If the containers belong in a box/rack/location with a grid, you will need to choose where to place each of the containers:

Updates to Amount:
New Update Amount Button:
In the SNConfig Administrator console in Containers tab there is an added role option for Update Amount:

On the containers, when a user has permission they will see the Update Amount button:

When clicked a dialog will launch where users can update the amount in the container:

Ability to choose count in dropdown:
Under the Amount dropdown menu, count has been added for the situations where materials or substances are sold in individualized single use containers where each individual sub-container does not need a barcode.

Updates to Search in Signals Notebook:
From inside of Signals Notebook, there is an Inventory dropdown in the Search area:

When you select Inventory, you will get the Inventory relevant search filters:

What’s New

This release of Signals Notebook brings a partial copy of experiments, some workflows to register samples to Materials Libraries, and improvements to both our Inventory and Parallel Experiment capabilities. We have also fixed a number of small bugs.

The following are available for users of Signals Notebook Individual Edition, Signals Notebook Standard or Signals Notebook Private Cloud

• Usability Improvements
• • –  Partial copy of experiments
  • –  Users with Edit can revert trashed content from History

The following improvements are only available for users of Signals Notebook Standard and Signals Notebook Private Cloud

• Usability Improvements
• • –  Multi-value attributes can be selected in Admin Defined tables, Materials Tables, Materials, Samples and Tasks
• Materials workflows
• • –  Register samples to Materials Libraries
  • –  Update Materials Library if Sample is changed
  • –  Salts/Solvates displayed in Samples and transferred to Materials Library
  • –  Admin definition of Samples mapping to Materials Libraries
  • –  Map fields of type Internal reference between Materials and Stoich tables
• Integrations
• • –  Profiles/me added to public API
• Inventory
• • –  Locations with Grid assignments
  • –  Printing additional data on barcode labels
  • –  Container and Location External APIs
• Parallel Experiments
• • –  Parallel Experiments are freely available to all administrators
  • –  Delete sub-experiments directly from Sub-Experiment Summary table
  • –  Add compounds via CAS number lookup in Internal and External Enumeration wools

We also fixed several small bugs in this release. Details of the enhancements are described below.

Administrators should note that we will soon be changing our IP addresses for our back end services. If you have integrations using External Sources, or use our Notifier APIs, and limit access to our provided IP ranges, please contact our support team for updated IP addresses.

The following OnDemand videos for administrators have now been updated

• User Management – Things To Know
• Principles for Smart and Effective System Templates
• Attributes Part 1 - How Best to Apply and Utilize

The following OnDemand videos for end users are now available

• Linking Ideas with Comments
• Link your Experiments Together

Further Details

Usability Improvements

Users can now choose to partially copy experiments. Within the Copy Experiment workflow the user can select/deselect any content that should not be copied into the new experiment. If the user chooses the Copy Partial workflow, only the content that was created at the time of creation will be pre-selected.

Users with Edit access can now revert Trashed content from the History of experiments.

The following improvements are only available to users and administrators of Signals Notebook Standard and Private Cloud and are unavailable as part of Signals Notebook Individual Edition.

Usability Improvements

Attribute lists can be defined as multi-select in Material assets, Admin Defined Tables, Stoich tables, Samples and Tasks. Once defined the end user can select from any of the available values.

Materials Workflows

End users can now directly create items in the Materials Library from Samples in experiments. A Register Material option is available for any sample. This launches a dialog to define which library to add the sample to and update any additional data for the Material.

Data can be transferred from the Sample properties. Mapping of data is managed for each library type by the administrator.

The administrator can warn the user, and prevent signing of the experiment, if the Sample is updated and the entry in the Materials Library no longer matches. There are separate settings in Samples to provide a visual cue when such a discrepancy occurs, and in Experiment to prevent signing. The discrepancy can be resolved by updating the entry in the library from the Sample.

For Chemical Samples, Salts and Solvates defined on the reactants or products can now be shown on the Samples. These salts and solvates will also be transferred to the Materials Library.

Administrators can now map fields of type “Internal Reference” between the Materials Library and the stoichiometry tables.

Integration Improvements

We have added an API endpoint for Profile/me. This can be used in combination with integrations using Bearer Token Exchange to inform the external application of the user holding the token.

Inventory

Locations can now have grid assignments. To use this feature, you need to create a new Location Type or use a Location Type that has not had Location created from them. Add the Grid Layout (System) property to the Location Type.

When users create a location with the Grid Layout, they will be prompted to enter the number of rows and columns:

When Checking In containers you will be prompted to identify where in the grid you would like to place your container(s):

Once you’ve placed the containers, you can see them on the Layout tab on the location and when you click on a filled square it will show you the container information on the right:

You can make locations within locations that both have grids (like a freezer rack with boxes). When you create these types of locations you will need to choose the location within the first grid to place the second location with grids:

Barcode printing has sizes that you can choose from as well as additional information on the labels.

Container and Location external API’s are now available:

Parallel Experiments

The Parallel Experiment capability is now no longer in beta and freely available to all administrators.

Sub-experiments can now be individually deleted from the sub-experiment summary tables in addition to from the details view of the sub experiment itself.

Reagents for internal and external enumeration can also be added via CAS number lookup from the QuickAdd toolbar. CAS Number and density, when available, are also included for the reagents.

What’s New

This release of Signals Notebook brings a few updates to our integration capabilities, and also fixes a number of small bugs.

The following are available for users of Signals Notebook Individual Edition, Signals Notebook Standard or Signals Notebook Private Cloud

• Usability Improvements
• • –  Exported PDFs are now PDFA-3b compliant

• Owner privileges and Full Control
• • – “Owner” now has full control, can Share Full Control with other users
  • – Moving experiments between notebooks changes inherited access to that from the destination notebook

The following improvements are only available for users of Signals Notebook Standard and Signals Notebook Private Cloud

• Owner privileges and Full Control
• • –  Full Control can be applied via the security policy
  • –  Deactivation of users does not require reassignment of content
• Integrations
• • –  Endpoints to manage sharing settings
  • –  Endpoint to fetch revision content
  • –  SCIM endpoint to deactivate users
• Administration
• • –  System Administrator can define attribute lists as supporting multiple values on selection
• Materials workflows
• • –  User can create containers in Inventory from a Sample
  • –  Chemist can add compounds from Chemical Library via ID lookup
  • –  Chemist can browse for items in the Chemical Library and add them to their reaction
  • –  Administrator can manage mappings between the stoichiometric tables and the Compounds Library
• Inventory
• • –  Inventory is freely available to all administrators
  • –  Templates have been renamed to be Types
  • –  Images uploaded to Types show in the Inventory Administrative Console
  • –  Security attributes
• Parallel Experiments (beta)
• • –  External Enumeration – creation of sub experiments from a file containing enumeration output

We also fixed several small bugs in this release. Details of the enhancements are described below.

The following OnDemand videos for end users are now available

• Chemical Drawing – Tips for Drawing Reactions Faster
• Chemical Drawing – Tips for Working with the Stoichiometry Grid
• Chemical Drawing – Append Salts and Solvates to your Reaction
• Chemical Drawing – Record Reaction Conditions and Solvents

Further Details

Owner privileges and Full Control

Exported PDFs are now compliant with the PDF/A-3b standard.

Owner privileges and Full Control

We have removed the concept of “Owner” from experiments and other content and replaced it with a privilege level called Full Control. Any user with Full Control can now do anything that previously was restricted to the Owner, such as Sharing, Signing, Reopening and recovering items from Trash. The user who creates a Notebook now has Full Control applied. Additional users can be granted Full Control via Sharing by any other user with Full Control.

Moving experiments from one Notebook to another will now change any inherited access from the old notebook to the new one.

The following improvements are only available to users and administrators of Signals Notebook Standard and Private Cloud and are unavailable as part of Signals Notebook Individual Edition.

Owner privileges and Full Control

The replacement of Owner with a list of users with Full Control, as described above, has added a few changes and improvements for administrators. First, the ability for end users to Share Full Control is provided by the existing Can Share privilege, as previously allowed users to Share View or Edit. Full Control can also now be granted to users via security policy by addition of a term such as “grant "entity.full_control"”.

The owner field is no longer available for end users via search, however it is retained in API to maintain backwards compatibility. As the Owner field is no longer relevant to define access privileges, the deactivation of users no longer requires reassignment of content If the administrator chooses to reassign content, Full Control is granted to the recipient for any objects where the deactivated user would have been owner and the owner field is still updated.

Integration Improvements

We have added API endpoints to find and update Sharing settings on objects, to fetch revision content from History and to delete users via SCIM.

Administrative Updates

The System Administrator can now define that an Attribute list supports selection of multiple values by the end user when used as a field in a System Template.

Materials Workflows

End users can now create Containers in the Inventory directly from Samples in their Experiments.

Chemists can add Compounds from the Materials Library into the stoich grid and reaction scheme, either by inserting the Compound ID into the QuickAdd toolbar or by launching a browse experience.

The administrator can map properties between the stoich tables and the materials library in the Stoichiometry Mapping page in SNConfig.

Inventory

The Inventory capability is now no longer in beta and freely available to all administrators.

Location and Container Templates have been renamed to Location and Container Types:

When you are in a Location or Container Type you will now see the Image that is uploaded (if one is present). Note that all out of the box types have an associated image pre-loaded for you.

Security in Inventory has been updated so you will now see 3 Secure Attributes that can be used to update the Security Policy and Group Associations.

Inventory Container Library and Inventory Location Library are auto populated from the respective types:

The administrator can then associate the appropriate User Group Associations with the type of Containers or Locations:

The following capabilities are in beta and are only available to users and administrators of Signals Notebook Standard or Private Cloud upon request. Please contact your account representative or our support team if you would like access to the following features. They are unavailable as part of Signals Notebook Individual Edition.

Parallel Experiments

Chemists can now create sub-experiments from an imported file containing pre-enumerated information. If the chemist uses an external enumerator that provides an output csv or sd file the chemist can load the file. The chemist can then define any mappings with information coming from the file to define reactants, products, solvents, or reaction conditions.

If there is consistent information not contained within the file the chemist can further define any values that are of Fixed Value, including defining other reagents.

The chemist can then create sub-experiments for each of the reactions defined in the file. Each parallel experiment can contain either an external enumeration or an internal enumeration element.

What’s New

This release of Signals Notebook brings a few updates to our integration capabilities and also fixes a number of small bugs.

The following are available for users of Signals Notebook Individual Edition, Signals Notebook Standard or Signals Notebook Private Cloud

• Usability Improvements
• • –  Easier navigation between items in the same location

The following improvements are only available for users of Signals Notebook Standard and Signals Notebook Private Cloud

• Integrations
• • –  Endpoint to export all of a materials library to csv/sdf
  • –  Endpoint to export parallel experiment summary tables to sdf (beta)
• Administration
• • –  System Administrator can now deactivate any System Administrator except themselves
• Parallel Experiments (beta)
• • –  Administrator can configure Parallel Experiments and Sub Experiments
  • –  End users can create Parallel Experiments
  • –  End users can create sub experiments manually
  • –  End users can create sub experiments via enumeration of a generic reaction
  • –  End users can add summary views of their sub experiments
• Containers and Locations (beta)
• • –  Administrator can configure Containers and Locations properties as well as types
  • –  End user can create locations
  • –  End user can create containers and associate those containers with materials
  • –  End user can check in/ out containers to a locations and user(s)
  • –  End users can Search for locations and containers in Global and Faceted Search
  • –  Users with permissions can trash containers

We also fixed several small bugs in this release. Details of the enhancements are described below.

The following OnDemand videos for administrators are now available

• System Objects - Learn to Build Organizational Specific Object
• What a 1 ^st time Administrator Needs to Know for Initial Launch

Administrators should note that we have added a site to update any planned or unplanned system downtime. You can visit the following site and subscribe to updates in your RSS reader: http://informatics.perkinelmer.com/Support/SNBPulse/

Further Details

Usability Improvements

We have added a capability to quickly navigate between items in the same location, such as between Samples in the same experiment, Tasks in the same Request or Experiments in the same Notebook. The user can quickly select to go to the previous or next item in that location, or to click on an item shown, or search within that location for other items. To navigate between items select the dropdown from the breadcrumbs.

The following improvements are only available to users and administrators of Signals Notebook Standard and Private Cloud and are unavailable as part of Signals Notebook Individual Edition. Integration Improvements

We have added API endpoints for the bulk export of a materials library as a csv or sd file. This asynchronous process includes endpoints to initiate the file creation, check on progress and download the resultant file. And we have added an endpoint to download the summary table from parallel experiments as an sd file. This final endpoint requires enablement of the beta Parallel Experiment capability.

Administration Improvements

System Administrators can now deactivate any other System Administrator. Previously the System Administrator was prevented from deactivating the System Administrator designated as a tenant owner and would have to contact our support team to make this change. This restriction has now been lifted.

The following capabilities are in beta and are only available to users and administrators of Signals Notebook Standard or Private Cloud upon request. Please contact your account representative or our support team if you would like access to the following features. They are unavailable as part of Signals Notebook Individual Edition. Parallel Experiments

We have added the capability to create multiple experiment like content, called sub experiments, inside of a new experiment type called a Parallel Experiment. The initial use of this is designed to support parallel synthesis workflows for medicinal chemists.

The administrator can define behaviors for the Parallel Experiment and Sub Experiment entity types. Parallel Experiments are similar to Experiments, whereby the administrator can define fields and auto-naming, and if parallel experiments should always be created within notebooks. The administrator can also define user privileges for the creation, moving, trashing and export of parallel experiments and signing settings.

The administrator can also define behaviors for sub experiments. Sub experiments are always automatically named but the administrator can define the string format. The administrator can also define a template for sub experiments which will be used if the end user is creating sub experiments manually, but will be superseded by creation of sub experiments by enumeration.

Chemists are now able to create Parallel Experiments and sub experiments within them. Chemists can also create subexperiment summaries in the parallel experiments which provide a consolidated view of reaction, reactant and product information from all of the contained sub experiments. The subexperiment summary is editable and changes in the summary view are updated into the individual subexperiments, and visa-versa .

The properties displayed in the Subexperiment Summary can be adjusted by configuring the columns, under the cog menu.

Parallel chemists can create subexperiments in bulk by using a built-in enumerator. The chemist should first define a generic reaction that contains varying groups, indicated by numbered R groups. They then define the set of actual reagents for those varying reagents, either drawing them individually or uploading from an SDFile. Once they enumerate, each subexperiment contains an enumerated reaction in addition to any other content specified by the chemist. Each subexperiment in a detailed view can be accessed from the links in the subexperiment summary and additional content can be added there.

Inventory

We have added the capability to create locations and containers as part of the first set of functionalities for an integrated Inventory solution with Signals Notebook. The initial use of this is designed to help customers manage and keep track of Materials they’ve made. Users can create containers from any material in the Materials Library. Containers can be checked in or out of locations, trashed, updated or print a barcode. Users can search for materials through the Global search in Signals Notebook or through a Browse Inventory webpage that narrows down focus by location, container(s) or by structure search. Administrators or users with permission, may create, update or trash locations as well print a barcode that is unique to both locations and containers.

Signals Inventory can be activated by an Administrator. Once activated, Inventory is activated for the entire tenant. The administrator can add or remove properties and types/templates for locations and containers. The initial configuration comes with a set of common use properties for both locations and containers as well as 7 container types and 18 location types. The administrator can control access through privileges set on locations and containers to allow users to create, edit or trash locations and containers.

The administrator can control access through privileges set on locations and containers to allow users to create, edit or trash locations and containers. Additional security for locations and containers can be added via Attributes and updates to the Security Policy.

Once activated, users will see the Inventory option under their Username in Signals Notebook:

This will open a new window where users can create new locations, search for current locations, search for containers or search by chemical structure.

To create containers, users navigate to the Materials Library from either Inventory or Signals Notebook. At the Lot/Batch level you will see the batch ID and next to it is the option to Add Container.

Users get the option to create the container and select their container type from the list of types created by the administrator or the one of the seven options that are pre-created.

After creation of the container, the system automatically shows the user the container where they can print the barcode, make edits, check in/ out the container or trash the container.

End users can check in or check out containers from the container or the location webpages.
From container:

From location:

End users can Search for locations and containers in Global from Inventory.

End users can use Faceted Search from the Browse Inventory page to search.

End users with the allowed permission can trash containers or locations:

If there are containers or sublocations present, the system will not allow you to delete the location until the containers or sublocations have been relocated:

What’s New

This release of Signals Notebook brings a few updates to our integration capabilities and also fixes a number of small bugs.

The following improvements are available for users of Signals Notebook Standard and Signals Notebook Private Cloud

• Integrations
• • –  Proxy service can support certificate-based authentication in addition to client ID/secret
  • –  Improvements to API endpoints for Tasks tables, search, SCIM Users, SCIM Groups and Admin Defined Tables.

We also fixed several small bugs in this release. Details of the enhancements are described below.

The following OnDemand videos for administrators are now available

• Principles for Smart and Effective System Templates
• Best Practices for Numbering Experiments and Other Objects
• Salts and Solvates: Learn to Configure Your Own

The following OnDemand video for end users is now available

• Chemical Drawings: Append Salts and Solvates to your Reaction

Please note that we no longer support Internet Explorer 11. Although IE 11 has continued to work since we officially dropped support, Internet Explorer 11 will cease working with Signals Notebook imminently. Users are encouraged to use a different supported browser immediately.

Please note that we are working on an enhancement which will replace the “Owner” with a multi-user capability. This will result in the Owner field being removed from search in a future release. End user who use the “Owner” field in stored bookmarks should update their bookmarks to use “Creator” or remove the query parameter. Administrators who have used “Owner” as a parameter in any API based integrations should plan to remove those parameters.

Further Details

The following improvements are only available to users and administrators of Signals Notebook Standard and Private Cloud and are unavailable as part of Signals Notebook Individual Edition.

Integration Improvements

Our proxy service, which allows modified integrations of Signals Notebook with external API services, has been extended to allow certificate-based authentication. This authentication can supplement existing OAuth2 authentication using client ID and secret.

We have improved existing endpoints for SCIM: Users, SCIM: Groups, Table Templates, Materials Tables and Search.

Coming soon: The Signals Notebook team is working on two significant enhancement that will start coming out in the next few months: Parallel Experiments and an Inventory system allowing scientists to put materials & samples in containers and track their location.

What’s New

This release of Signals Notebook brings a few small usability and administrative updates and also fixes a number of small bugs.

The following improvements are available for users of Signals Notebook Standard and Signals Notebook Private Cloud

• Usability Improvements
• • –  Type ahead selection for choosing Task Type in the Request Task Table
• Administrative Improvements
• • –  Define text to be included in Keywords in the exported PDF
  • –  External proxy changes recorded in audit trail
• Integrations
• • –  Additional & improved API endpoints for Admin Defined Tables, Samples Tables

We also fixed several small bugs in this release. Details of the enhancements are described below.

The following OnDemand videos for administrators are now available

• Table Templates, Building Basics

The following OnDemand videos for end users are now available

• Print and Export for Report Building

Further Details

The following improvements are only available to users and administrators of Signals Notebook Standard and Private Cloud, and are unavailable as part of Signals Notebook Individual Edition. Usability Improvements

The Task Type selector in the Tasks table in Requests now supports a type-ahead selection to aid users to find the correct Task type when the list becomes large.

Administrative Improvements

Administrators can now define a field that will be included in the Keywords section of an exported PDF.

Changes made to Proxy Configuration in SNConfig are also now captured in the Admin Audit Log.

Integration Improvements

We have added a new endpoint for Admin Defined Tables to return column definitions only. We have also improved the Samples endpoint to return normalized values for numerical values.