Download Datasets: Difference between revisions
Mmaciejewski (talk | contribs) |
Mmaciejewski (talk | contribs) |
||
Line 1: | Line 1: | ||
=== Download === | === Download === | ||
Datasets may be downloaded by selecting the | 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: | Users may choose between two download formats: | ||
Line 121: | Line 121: | ||
=== Organized for TopSpin === | === Organized for TopSpin === | ||
When | 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>). | 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 === | ==== Example Layout ==== | ||
The directory structure for the four datasets in the example would look like this: | The directory structure for the four datasets in the example would look like this: | ||
Revision as of 15:17, 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