Download Datasets: Difference between revisions
Mmaciejewski (talk | contribs) 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 | 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 | 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 | 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: | |||
{| class="wikitable" | {| class="wikitable" | ||
|+ | |+ | ||
Line 30: | Line 33: | ||
!PI | !PI | ||
!Workstation User | !Workstation User | ||
! | !UUID | ||
|- | |- | ||
|NMR800-NEO/ | |NMR800-NEO/polx/5 | ||
|HSQC | |HSQC | ||
| | |polx/5 | ||
|Mullen | |Mullen | ||
|NMR800-NEO | |NMR800-NEO | ||
|800 | |800 | ||
|solution | |solution | ||
| | |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- | |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- | |fb5323d6-fcae-4328-a908-9f6ff1d8854 | ||
|} | |} | ||
=== Organized for | === 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