Download Datasets: Difference between revisions

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Created page with "=== Download === Datasets may be downloaded by selecting the "Download" action from the context menu accessible by right mouse clicking on a selected dataset(s). When downloading datasets users choose between Organized for Topspin or Organized by Experiment The dataset(s) requested for downloaded are packaged into a zip file and downloaded through your browser to the Downloads folder All files, including supplemental data and any data in the post-acquisition director..."
 
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=== Download ===
=== Download ===
Datasets may be downloaded by selecting the "Download" action from the context menu accessible by right mouse clicking on a selected dataset(s).  
Datasets may be downloaded by selecting the "Download" action from the context menu, which is accessed by right-clicking on a selected dataset (or set of datasets).


When downloading datasets users choose between Organized for Topspin or Organized by Experiment
Users may choose between two download formats:
* ''Organized for TopSpin''
* ''Organized by Experiment''


The dataset(s) requested for downloaded are packaged into a zip file and downloaded through your browser to the Downloads folder
The selected datasets are packaged into a zip file and downloaded through your browser to the local Downloads folder.


All files, including supplemental data and any data in the post-acquisition directory is included in the download.
All files are included, including supplemental data and any contents from the post-acquisition directory.
 
An `experiments.csv` file is placed in the root of the zip archive. It lists the downloaded experiments in the following format:


An "experiments.csv" file is in the root directory with a list of experiments downloaded in the following format:
{| class="wikitable"
{| class="wikitable"
|+
|+
Line 30: Line 33:
!PI
!PI
!Workstation User
!Workstation User
!UID
!UUID
|-
|-
|NMR800-NEO/test/5
|NMR800-NEO/polx/5
|HSQC
|HSQC
|test/5
|polx/5
|Mullen
|Mullen
|NMR800-NEO
|NMR800-NEO
|800
|800
|solution
|solution
|gNHSQC
|hsqcetf3gpsi
|2
|2
|2
|2
Line 45: Line 48:
|1H,15N
|1H,15N
|298
|298
|
|test
|polx
|2025-01-24T00:06:36-05:00
|Bloch
|Purcell
|Rabi
|fb5323d6-fcae-4328-a908-9f6ff1d88512
|-
|NMR600-NEO/ubiquitin/9
|1D 1H
|ubiquitin/9
|Mullen
|NMR600-NEO
|600
|solution
|zgpr
|1
|1
|1H
|1H
|298
|calibration
|ubiquitin
|ubiquitin
|2025-01-24T00:06:36-05:00
|2025-02-24T00:06:36-05:00
|Bloch
|Purcell
|Rabi
|fb5323d6-fcae-4328-a908-9f6ff1d88518
|-
|NMR600-NEO/ubiquitin/9
|1D 1H
|ubiquitin/9
|Mullen
|NMR600-NEO
|600
|solution
|zgpr
|1
|1
|1H
|1H
|298
|calibration
|ubiquitin
|2025-02-24T00:06:47-05:00
|Bloch
|Purcell
|Rabi
|fb5323d6-fcae-4328-a908-9f6ff1d88519
|-
|NMR600-NEO/ubiquitin/10
|1D NOESY
|ubiquitin/10
|Mullen
|NMR600-NEO
|600
|solution
|noesygppr1d
|1
|1
|1H
|1H
|298
|successful
|ubiquitin
|2025-02-24T00:07:26-05:00
|Bloch
|Bloch
|Purcell
|Purcell
|Rabi
|Rabi
|fb5323d6-fcae-4328-a908-9f6ff1d88517
|fb5323d6-fcae-4328-a908-9f6ff1d8854
|}
|}


=== Organized for Topspin ===
=== Organized for TopSpin ===
When "Organized for TopSpin" is selected, the download is structured to match the standard Bruker TopSpin format. Datasets are grouped under directories named for the spectrometer used for acquisition (e.g., <code>NMR800-NEO</code>, <code>NMR600-NEO</code>).
 
Each dataset resides in a subdirectory under the dataset name, with an additional level for the experiment number (EXPNO). If two datasets have the same dataset name and experiment number, the older one will have a timestamp suffix to avoid overwriting (e.g., <code>9_20250224000647</code>).
 
=== Example Layout ===
The directory structure for the four datasets in the example would look like this:
 
<pre>
NMR800-NEO/
└── polx/
    └── 5/
        ├── fid
        ├── acqus
        ├── acqu2s
        ├── pulseprogram
        ├── procs
        └── pdata/
            └── 1/
                ├── 1r
                ├── 1i
                ├── procpar
                └── title
 
NMR600-NEO/
└── ubiquitin/
    ├── 9/
    │  ├── fid
    │  ├── acqus
    │  ├── pulseprogram
    │  └── pdata/
    │      └── 1/
    │          ├── 1r
    │          └── title
    ├── 9_20250224000647/
    │  ├── fid
    │  ├── acqus
    │  └── pdata/
    │      └── 1/
    │          ├── 1r
    │          └── title
    └── 10/
        ├── fid
        ├── acqus
        └── pdata/
            └── 1/
                ├── 1r
                └── title
 
experiments.csv
</pre>

Revision as of 15:15, 27 May 2025

Download

Datasets may be downloaded by selecting the "Download" action from the context menu, which is accessed by right-clicking on a selected dataset (or set of datasets).

Users may choose between two download formats:

  • Organized for TopSpin
  • Organized by Experiment

The selected datasets are packaged into a zip file and downloaded through your browser to the local Downloads folder.

All files are included, including supplemental data and any contents from the post-acquisition directory.

An `experiments.csv` file is placed in the root of the zip archive. It lists the downloaded experiments in the following format:

Path Display Name Dataset Name Facility Spectrometer Field State Pulse Program # dims # dims collected direct nuclei nuclei Temp Classification Sample Date NAN User PI Workstation User UUID
NMR800-NEO/polx/5 HSQC polx/5 Mullen NMR800-NEO 800 solution hsqcetf3gpsi 2 2 1H 1H,15N 298 test polx 2025-01-24T00:06:36-05:00 Bloch Purcell Rabi fb5323d6-fcae-4328-a908-9f6ff1d88512
NMR600-NEO/ubiquitin/9 1D 1H ubiquitin/9 Mullen NMR600-NEO 600 solution zgpr 1 1 1H 1H 298 calibration ubiquitin 2025-02-24T00:06:36-05:00 Bloch Purcell Rabi fb5323d6-fcae-4328-a908-9f6ff1d88518
NMR600-NEO/ubiquitin/9 1D 1H ubiquitin/9 Mullen NMR600-NEO 600 solution zgpr 1 1 1H 1H 298 calibration ubiquitin 2025-02-24T00:06:47-05:00 Bloch Purcell Rabi fb5323d6-fcae-4328-a908-9f6ff1d88519
NMR600-NEO/ubiquitin/10 1D NOESY ubiquitin/10 Mullen NMR600-NEO 600 solution noesygppr1d 1 1 1H 1H 298 successful ubiquitin 2025-02-24T00:07:26-05:00 Bloch Purcell Rabi fb5323d6-fcae-4328-a908-9f6ff1d8854

Organized for TopSpin

When "Organized for TopSpin" is selected, the download is structured to match the standard Bruker TopSpin format. Datasets are grouped under directories named for the spectrometer used for acquisition (e.g., NMR800-NEO, NMR600-NEO).

Each dataset resides in a subdirectory under the dataset name, with an additional level for the experiment number (EXPNO). If two datasets have the same dataset name and experiment number, the older one will have a timestamp suffix to avoid overwriting (e.g., 9_20250224000647).

Example Layout

The directory structure for the four datasets in the example would look like this:

NMR800-NEO/
└── polx/
    └── 5/
        ├── fid
        ├── acqus
        ├── acqu2s
        ├── pulseprogram
        ├── procs
        └── pdata/
            └── 1/
                ├── 1r
                ├── 1i
                ├── procpar
                └── title

NMR600-NEO/
└── ubiquitin/
    ├── 9/
    │   ├── fid
    │   ├── acqus
    │   ├── pulseprogram
    │   └── pdata/
    │       └── 1/
    │           ├── 1r
    │           └── title
    ├── 9_20250224000647/
    │   ├── fid
    │   ├── acqus
    │   └── pdata/
    │       └── 1/
    │           ├── 1r
    │           └── title
    └── 10/
        ├── fid
        ├── acqus
        └── pdata/
            └── 1/
                ├── 1r
                └── title

experiments.csv