<p>Here is another alternative/supplement to NIST. The <a href="http://vald.astro.uu.se/" rel="nofollow noreferrer">VALD atomic line database</a>, which is specifically for astrophysical applications.</p>
<p>I believe this database does contain some molecular data too.</p>

CC BY-SA 4.0
2021-03-16T13:28:59.397Z
2021-03-16T13:28:59.397Z
ProfRob
<p>There is the <a href="https://physics.nist.gov/PhysRefData/ASD/lines_form.html" rel="noreferrer">NIST Atomic Spectra Database</a> where you could browse by elements. This the reverse approach, meaning that you have to first query element by element and then see which of the lines you find in the spectrum - that's how we used to do it in our labs during studies:</p>
<p><a href="https://i.sstatic.net/CIpuV.png" rel="noreferrer"><img src="https://i.sstatic.net/CIpuV.png" alt="Screenshot of NIST Atomic Spectra Database" /></a></p>
<p>Then, there is <a href="https://srdata.nist.gov/xps/EnergyTypeValSrch.aspx" rel="noreferrer">another NIST site</a> where you can enter up to 4 spectral lines in units of <a href="https://en.wikipedia.org/wiki/Electronvolt" rel="noreferrer">electron Volt</a> to be identified:</p>
<p><a href="https://i.sstatic.net/ricb7.png" rel="noreferrer"><img src="https://i.sstatic.net/ricb7.png" alt="NIST's 4 line helper screenshot" /></a></p>
<p>I am aware that there is also at least one old commercial software (some name starting with <code>Win</code>) to do that, running under Windows 3.1.
There is also custom written C-code used by research groups working on the topic, but I have to dig to figure out whether these software is still available. All I found is a software called <a href="https://www.physics.muni.cz/%7Ezdenek/span/" rel="noreferrer">Spectrum Analyzer</a> which I have not tested.</p>

CC BY-SA 4.0
2021-03-16T13:15:21.980Z
Thank you very much. I edited the question. I cannot find that line in a NIST database. I tried Spectrum Analyzer. For inbuilt examples, it works amazingly; however, after loading my spectrum, there was an error No lines have been found.
Elena Greg
CC BY-SA 4.0
2021-03-16T17:32:20.780Z
@ElenaGreg same problem as why O2 isn't in the NIST database: Spectrum Analyzer only uses atomic transitions. They link to massiveOES for molecular ones on that page but it seems to be dead, here's another one https://bitbucket.org/OES_muni/massiveoes/src/master/
llama
CC BY-SA 4.0
2021-03-17T21:32:58.670Z
Thank you. Could you help me with installation, please? I added the problem to my question.
Elena Greg
CC BY-SA 4.0
2021-03-16T08:16:34.890Z
2021-03-16T08:21:49.977Z
2021-03-16T08:21:49.977Z
B--rian
<p>What is the best database for the identification of spectral lines? For instance, I have a red spectrum of A0 star and I would like to recognize the most prominent lines, where to find them? Many thanks.</p>
<p><strong>EDIT:</strong>
Why is O2 line not in NIST? It would be about 2676.99 A.</p>
<p><a href="https://i.sstatic.net/3Bucc.png" rel="nofollow noreferrer"><img src="https://i.sstatic.net/3Bucc.png" alt="enter image description here" /></a></p>
<p>source: <a href="http://www.spektros.de/sirius/sirius.html" rel="nofollow noreferrer">http://www.spektros.de/sirius/sirius.html</a></p>
<p><strong>After advice:</strong>
How to install the database for molecules <a href="https://bitbucket.org/OES_muni/massiveoes/src/master/" rel="nofollow noreferrer">https://bitbucket.org/OES_muni/massiveoes/src/master/</a>? I obtained the following error:</p>
<pre><code>python setup.py develop
/home/linux/.local/lib/python2.7/site-packages/setuptools/dist.py:474: UserWarning: Normalizing '1.001' to '1.1'
  normalized_version,
running develop
error: can't create or remove files in install directory

The following error occurred while trying to add or remove files in the
installation directory:

    [Errno 13] Permission denied: '/usr/local/lib/python2.7/dist-packages/test-easy-install-547.write-test'

The installation directory you specified (via --install-dir, --prefix, or
the distutils default setting) was:

    /usr/local/lib/python2.7/dist-packages/

Perhaps your account does not have write access to this directory?  If the
installation directory is a system-owned directory, you may need to sign in
as the administrator or &quot;root&quot; account.  If you do not have administrative
access to this machine, you may wish to choose a different installation
directory, preferably one that is listed in your PYTHONPATH environment
variable.

For information on other options, you may wish to consult the
documentation at:

  https://setuptools.readthedocs.io/en/latest/easy_install.html

Please make the appropriate changes for your system and try again.
</code></pre>

CC BY-SA 4.0
2021-03-16T13:21:42.973Z
The NIST **atomic** spectra database.
ProfRob
CC BY-SA 4.0
2021-03-16T17:29:36.757Z
To make the point more explicit: O2 is a molecule, so it doesn't show up in the atomic database
llama
<spectroscopy><spectra><resource-request>
What is the best database for identification of spectral lines?
Elena Greg
# What is the best database for identification of spectral lines?

(Asked by: username_0 on 2021-03-16)

What is the best database for the identification of spectral lines? For instance, I have a red spectrum of A0 star and I would like to recognize the most prominent lines, where to find them? Many thanks.
EDIT:
Why is O2 line not in NIST? It would be about 2676.99 A.

source: http://www.spektros.de/sirius/sirius.html
After advice:
How to install the database for molecules https://bitbucket.org/OES_muni/massiveoes/src/master/? I obtained the following error:
python setup.py develop
/home/linux/.local/lib/python2.7/site-packages/setuptools/dist.py:474: UserWarning: Normalizing '1.001' to '1.1'
  normalized_version,
running develop
error: can't create or remove files in install directory

The following error occurred while trying to add or remove files in the
installation directory:

    [Errno 13] Permission denied: '/usr/local/lib/python2.7/dist-packages/test-easy-install-547.write-test'

The installation directory you specified (via --install-dir, --prefix, or
the distutils default setting) was:

    /usr/local/lib/python2.7/dist-packages/

Perhaps your account does not have write access to this directory?  If the
installation directory is a system-owned directory, you may need to sign in
as the administrator or "root" account.  If you do not have administrative
access to this machine, you may wish to choose a different installation
directory, preferably one that is listed in your PYTHONPATH environment
variable.

For information on other options, you may wish to consult the
documentation at:

  https://setuptools.readthedocs.io/en/latest/easy_install.html

Please make the appropriate changes for your system and try again.

**Tags:** spectroscopy, spectra, resource-request
> **Comments:**
> **username_1**: The NIST **atomic** spectra database.  
> **username_2**: To make the point more explicit: O2 is a molecule, so it doesn't show up in the atomic database  

---

## 2 answers

### Answer by username_3 on 2021-03-16. Score: 7 | Accepted answer

There is the [NIST Atomic Spectra Database](https://physics.nist.gov/PhysRefData/ASD/lines_form.html) where you could browse by elements. This the reverse approach, meaning that you have to first query element by element and then see which of the lines you find in the spectrum - that's how we used to do it in our labs during studies:

[![Screenshot of NIST Atomic Spectra Database](https://i.sstatic.net/CIpuV.png)](https://i.sstatic.net/CIpuV.png)

Then, there is [another NIST site](https://srdata.nist.gov/xps/EnergyTypeValSrch.aspx) where you can enter up to 4 spectral lines in units of [electron Volt](https://en.wikipedia.org/wiki/Electronvolt) to be identified:

[![NIST's 4 line helper screenshot](https://i.sstatic.net/ricb7.png)](https://i.sstatic.net/ricb7.png)

I am aware that there is also at least one old commercial software (some name starting with `Win`) to do that, running under Windows 3.1.
There is also custom written C-code used by research groups working on the topic, but I have to dig to figure out whether these software is still available. All I found is a software called [Spectrum Analyzer](https://www.physics.muni.cz/%7Ezdenek/span/) which I have not tested.

> **Comments:**
> **username_0**: Thank you very much. I edited the question. I cannot find that line in a NIST database. I tried Spectrum Analyzer. For inbuilt examples, it works amazingly; however, after loading my spectrum, there was an error No lines have been found.  
> **username_2**: @ElenaGreg same problem as why O2 isn't in the NIST database: Spectrum Analyzer only uses atomic transitions. They link to massiveOES for molecular ones on that page but it seems to be dead, here's another one https://bitbucket.org/OES_muni/massiveoes/src/master/  
> **username_0**: Thank you. Could you help me with installation, please? I added the problem to my question.  

---

### Answer by username_1 on 2021-03-16. Score: 4

Here is another alternative/supplement to NIST. The [VALD atomic line database](http://vald.astro.uu.se/), which is specifically for astrophysical applications.

I believe this database does contain some molecular data too.


---

