IS-DB FAQ

Why should I submit data?

It is estimated that as many spectra are recorded in industrial and academic laboratories in a single day as are contained in the largest electronic analytical databases.

Nearly all of these spectra are discarded or are unavailable, even to those who acquired them.

The purpose of the database is to store electronically as much of this data as possible so that it becomes available for the wider use of the scientific community.

How do I submit data?

First you must register as a user at www.is-db.org. Follow the instructions by clicking on the link User Registration.

Once you are a registered user, you need to click on Log in to submit data every time. Then follow the instructions.

To ensure that the data is transferred to the Archive Server, please log out at the end of your session.

What type of spectra can I submit?

Any type of spectral data, for example NMR, infrared, mass spectroscopy, UV.

Does the database accept chromatographic data?

Yes, but please contact your local hotline to let them know you are submitting chromatogrammes and not spectra.

What format should the data be in?

Spectra should be submittted in JCAMP-DX format and chemical structures as molfiles. If you have problems with these requirements please contact one of the hotlines.

Is there a limit on the size of the file I can submit?

The spectral data file must be less than 2MB in size. If you have a data file larger than this, please contact one of the hotlines who will arrange for the file to be submitted another way.

How can I see what data I have submitted?

You need to log on to the IS-DB Archive Server where the data is stored.

Click on the link IS-DB Archive Server at www.is-db.org.

A new browser window will open, like the one shown below.

Enter the User ID and Password for the Archive Server that were emailed to you after you registered at www.is-db.org.

You will then see a page with a Window called Metadata Search.
In this Window, under the heading Publication Search, there are 2 rows each containing 2 empty boxes.

In the first row, click on the arrow next to the first box and select Last Name. Then click on the Magnifying Glass on the right of the next box. A new Window appears. Select your last name from the list and click in the circle to the left of it. You will then be returned to the first window.

Carry out the same process for the second row of boxes, but choose First Name.

The window should now look like the example shown below:

Now click on the Metadata Search button near the top-right of the window.

You will be shown a list of all the data that you have submitted, as in the example shown below.

How can I see the spectral data that I have submitted?

You need to log on to the IS-DB Archive Server where the data is stored.

Click on the link IS-DB Archive Server at www.is-db.org. A new browser window will open.

Enter the User ID and Password for the Archive Server that were emailed to you after you registered at www.is-db.org.

Follow the process described in How can I see what data I have submitted? to get a complete list of the data that you have submitted.

Then click on the icon in the Spectral Viewer column for the spectrum that you wish to view.

A new browser window will open to show you the spectrum.

You will need to have the Sun Java Virtual Machine (JVM) installed in your browser.
You will be prompted to install this the first time that you try to view a spectrum.

How can I see the data associated with a spectrum that I have submitted?

You need to log on to the IS-DB Archive Server where the data is stored.

Click on the link IS-DB Archive Server at www.is-db.org. A new browser window will open.

Enter the User ID and Password for the Archive Server that were emailed to you after you registered at www.is-db.org.

Follow the process described in "How can I see what data I have submitted?" to get a complete list of the data that you have submitted.

Then click on the icon in the Details column for the spectrum for which you wish to see the data.

All the data about that spectrum that you entered when you submitted the spectrum will be shown, as shown in the example below.

After I log on to the Archive Server, I cannot visit any other sites on the Internet.

This is a security feature of the software used on the Archive Server. Close the browser window and re-start your browser.

If you start from the IS-DB Archive Server link at www.is-db.org, the Archive Server will open in a new window. Just close that browser window when you have finished on the archive server; other open windows are not affected.

What do I do if I have problems?

Contact one of the Hotlines listed at www.is-db.org and they will try and help.

What do I do if I forget my password?

Click on the link “I have forgotten my password” at www.is-db.org, enter the email address you registered with and the answer to your secret question and your password will be emailed to you.

If you have forgotten the answer to your secret question, contact a hotline and they will reset the password for you.

What is the IS-DB?

The IS-DB is an independent, non-profit-making organisation and any surplus will be used for the benefit of the spectroscopic community.

It’s great that I can use the IS-DB free-of-charge, but how is it paid for?

Its development has been funded by an EU Project, EuroSpec.

Further operating costs will be met by licensing the data to commercial organisations for use in value-added products.

How do I provide a link to data that I have deposited?

Every file deposited in the IS-DB is assigned a unique registry number.

This can be used to lookup the file by entering it into one of the search boxes on the ISDB web site.

How can I search for a spectrum?

You can find a spectrum when you know the publication it appeared in, the name of the substance, the chemical formula, the CAS number or the IS-DB registry number.

Go the Advanced Search page, and enter the information you have on the compound in the relevant search fields.

Can I do a spectrum match?

No, you cannot do spectrum matching on the IS-DB, you can only search by:

Can I do a sub-structure search?

Not yet, but we hope to implement this in the future.

Will my data always be freely available to the scientific community?

The IS-DB will continue to make the lookup and display of spectra free to the scientific community.

After the initial three-year period of funding, the IS-DB will need to be self-funding.

It is anticipated that the running costs will be met from licensing fees and donations however, the IS-DB may have to consider other mechanisms to generate sufficient income to cover its costs.

The IS-DB constitution forbids it from making a profit.

Why do I have to licence my data to IS-DB?

If you do not provide us with a licence to your data, we cannot make it publicly-available nor licence it for use in commercial products.

Can I use data from the database in my work?

Of course! But please cite the source!

What are the system requirements to use the database?

System:

Software: