NMRbox Integration - Revision history

Mmaciejewski at 17:06, 10 June 2025

2025-06-10T17:06:27Z

← Older revision		Revision as of 17:06, 10 June 2025
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	~~<span style="display:inline-block; margin-bottom:1em;">[[~~Datasets~~#Actions\|← Back to Dataset Browser --> Actions]]</span>~~		{{Datasets}}

	= NMRbox Integration =		= NMRbox Integration =

Mmaciejewski: /* Using the NMRbox Integration Action */

2025-05-28T17:47:37Z

Using the NMRbox Integration Action

← Older revision		Revision as of 17:47, 28 May 2025
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	== Using the NMRbox Integration Action ==		== Using the NMRbox Integration Action ==
			[[File:Copy2nmrbox.png\|thumb\|NMRbox Integration]]
	From the dataset context menu in the Data Browser, users can select the '''NMRbox Integration''' action. This opens a dialog with two options:		From the dataset context menu in the Data Browser, users can select the '''NMRbox Integration''' action. This opens a dialog with two options:

Mmaciejewski at 17:45, 28 May 2025

2025-05-28T17:45:14Z

← Older revision		Revision as of 17:45, 28 May 2025
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	* Specify a target directory name		* Specify a target directory name
	* Choose a format:		* Choose a format:
	* ~~'''~~TopSpin ~~Format'''~~		** TopSpin
	* ''~~'Experiment Format'~~''		** Experiment
			(Refer to the ''[[Download Datasets\|Downloads]]'' section for more information on dataset formats.)

	~~(Refer to the ''Downloads'' section for more information on dataset formats.)~~		Once initiated, the dataset is copied from the NAN archive to the user's NMRbox environment under <code>'''~/nan-exports/''target_directory'''''</code>. The user has full write access to the copied data and may process or modify it freely.

	Once initiated, the dataset is copied from the NAN archive to the user's NMRbox environment under `~/nan-exports/`. The user has full write access to the copied data and may process or modify it freely.

	== Post-Acquisition Directory ==		== Post-Acquisition Directory ==

	Each copied dataset includes a `post-acquisition` directory. Users may place additional files ~~here—such~~ as:		Each copied dataset includes a '''<code>post-acquisition</code>''' directory. Users may place additional files here such as:

	* Processed spectra		* Processed spectra
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	== Retrieve Post-Acquisition Data ==		== Retrieve Post-Acquisition Data ==

	When ready, users may return to the Data Browser and choose '''Retrieve Post-Acquisition Data''' to import the contents of the `post-acquisition` directory back into the NAN archive. This data is then:		When ready, users may return to the Data Browser and choose '''Retrieve Post-Acquisition Data''' to import the contents of the <code>'''post-acquisition'''</code> directory back into the NAN archive. This data is then:

	* Linked to the original dataset		* Linked to the original dataset
	* Included in all future dataset downloads		* Included in all future dataset downloads
	* Backed up as part of NAN’s disaster recovery plan (along with supplemental data)		* Backed up as part of NAN’s disaster recovery plan (along with supplemental data)

	~~This integration supports a complete and auditable loop from acquisition to analysis, allowing users to enrich archived datasets with derived data and metadata generated during processing on NMRbox.~~

Mmaciejewski: Created page with "← Back to Dataset Browser --> Actions = NMRbox Integration = NMRbox is a platform for data processing and analysis tightly integrated with NAN. All NAN users are also NMRbox users, sharing a common '''NMRhub account'''. This integration enables seamless data transfer between the archive and a user's compute environment. == Using the NMRbox Integration Action == From the dataset conte..."

2025-05-28T17:38:10Z

Created page with "<span style="display:inline-block; margin-bottom:1em;">← Back to Dataset Browser --> Actions</span> = NMRbox Integration = NMRbox is a platform for data processing and analysis tightly integrated with NAN. All NAN users are also NMRbox users, sharing a common '''NMRhub account'''. This integration enables seamless data transfer between the archive and a user's compute environment. == Using the NMRbox Integration Action == From the dataset conte..."

New page

<span style="display:inline-block; margin-bottom:1em;">[[Datasets#Actions|← Back to Dataset Browser --> Actions]]</span>

= NMRbox Integration =

NMRbox is a platform for data processing and analysis tightly integrated with NAN. All NAN users are also NMRbox users, sharing a common '''NMRhub account'''. This integration enables seamless data transfer between the archive and a user's compute environment.

== Using the NMRbox Integration Action ==

From the dataset context menu in the Data Browser, users can select the '''NMRbox Integration''' action. This opens a dialog with two options:

* '''Copy to NMRbox'''
* '''Retrieve Post-Acquisition Data'''

Note: The '''Retrieve''' option is disabled until a copy has been completed. A page refresh may be required to enable it, but this is generally not disruptive since retrieval typically occurs sometime after the copy.

== Copy to NMRbox ==

When selecting '''Copy to NMRbox''', users are prompted to:

* Specify a target directory name
* Choose a format:
* '''TopSpin Format'''
* '''Experiment Format'''

(Refer to the ''Downloads'' section for more information on dataset formats.)

Once initiated, the dataset is copied from the NAN archive to the user's NMRbox environment under `~/nan-exports/`. The user has full write access to the copied data and may process or modify it freely.

== Post-Acquisition Directory ==

Each copied dataset includes a `post-acquisition` directory. Users may place additional files here—such as:

* Processed spectra
* Analysis scripts
* Peak lists
* Annotated results
* Any other relevant data

== Retrieve Post-Acquisition Data ==

When ready, users may return to the Data Browser and choose '''Retrieve Post-Acquisition Data''' to import the contents of the `post-acquisition` directory back into the NAN archive. This data is then:

* Linked to the original dataset
* Included in all future dataset downloads
* Backed up as part of NAN’s disaster recovery plan (along with supplemental data)

This integration supports a complete and auditable loop from acquisition to analysis, allowing users to enrich archived datasets with derived data and metadata generated during processing on NMRbox.