Download Datasets

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

Organized by Experiment

When Organized by Experiment is selected, the download is structured so that all datasets are placed at the root level. Each dataset is contained in a folder named using the format:

YYYYMMDDTHHMMSS_Spectrometer_PulseProgram

This naming convention ensures uniqueness and facilitates sorting or identification by timestamp, spectrometer, and pulse program. The `experiments.csv` file is included at the root level, with the Path column reflecting this folder name for each dataset.

Example Layout

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

20250124T000636_NMR800-NEO_hsqcetf3gpsi/
├── fid
├── acqus
├── acqu2s
├── pulseprogram
├── procs
└── pdata/
    └── 1/
        ├── 1r
        ├── 1i
        ├── procpar
        └── title

20250224T000636_NMR600-NEO_zgpr/
├── fid
├── acqus
└── pdata/
    └── 1/
        ├── 1r
        └── title

20250224T000647_NMR600-NEO_zgpr/
├── fid
├── acqus
└── pdata/
    └── 1/
        ├── 1r
        └── title

20250224T000726_NMR600-NEO_noesygppr1d/
├── fid
├── acqus
└── pdata/
    └── 1/
        ├── 1r
        └── title

experiments.csv