NIST
The National Institute of Standards and Technology (NIST) supplies Carsus with atomic weights, ionization energies and ground levels configurations.
Atomic Weights
Provided by the NIST Atomic Weights and Isotopic Compositions Database.
Warning:
Carsus does not support unstable atoms with atomic numbers greater than 94
[1]:
from carsus.io.nist import NISTWeightsComp
ChiantiPy version 0.15.0
found PyQt5 widgets
using PyQt5 widgets
[ py.warnings][WARNING] - /home/runner/micromamba/envs/carsus/lib/python3.12/site-packages/ChiantiPy/tools/data.py:72: UserWarning: klgfb files are not present:
it will not be possible to use the freeBound continuum method
warnings.warn('klgfb files are not present: \n it will not be possible to use the freeBound continuum method')
(warnings.py:112)
[2]:
nist_weights = NISTWeightsComp('H-O')
[ carsus.io.nist.weightscomp][ INFO] - Downloading data from the carsus-dat-nist repository (weightscomp.py:69)
[ py.warnings][WARNING] - /home/runner/micromamba/envs/carsus/lib/python3.12/site-packages/urllib3/connectionpool.py:1099: InsecureRequestWarning: Unverified HTTPS request is being made to host 'raw.githubusercontent.com'. Adding certificate verification is strongly advised. See: https://urllib3.readthedocs.io/en/latest/advanced-usage.html#tls-warnings
warnings.warn(
(warnings.py:112)
[3]:
nist_weights.base
[3]:
| symbol | name | mass | |
|---|---|---|---|
| atomic_number | |||
| 1 | H | Hydrogen | 1.007975 |
| 2 | He | Helium | 4.002602 |
| 3 | Li | Lithium | 6.967500 |
| 4 | Be | Beryllium | 9.012183 |
| 5 | B | Boron | 10.813500 |
| 6 | C | Carbon | 12.010600 |
| 7 | N | Nitrogen | 14.006855 |
| 8 | O | Oxygen | 15.999400 |
Ionization Energies and Ground Levels
Provided by the NIST Atomic Spectra Database.
[4]:
from carsus.io.nist import NISTIonizationEnergies
[5]:
nist_ioniz = NISTIonizationEnergies('H-O')
[ carsus.io.nist.ionization][ INFO] - Downloading ionization energies from the carsus-data-nist repo. (ionization.py:87)
[ py.warnings][WARNING] - /home/runner/micromamba/envs/carsus/lib/python3.12/site-packages/urllib3/connectionpool.py:1099: InsecureRequestWarning: Unverified HTTPS request is being made to host 'raw.githubusercontent.com'. Adding certificate verification is strongly advised. See: https://urllib3.readthedocs.io/en/latest/advanced-usage.html#tls-warnings
warnings.warn(
(warnings.py:112)
[6]:
nist_ioniz.base
[6]:
atomic_number ion_charge
1 0 13.598435
2 0 24.587389
1 54.417766
3 0 5.391715
1 75.640097
2 122.454359
4 0 9.322699
1 18.211150
2 153.896205
3 217.718585
5 0 8.298019
1 25.154830
2 37.930590
3 259.374379
4 340.226022
6 0 11.260288
1 24.383143
2 47.887780
3 64.493520
4 392.090560
5 489.993208
7 0 14.534130
1 29.601250
2 47.445300
3 77.473500
4 97.890100
5 552.067410
6 667.046138
8 0 13.618055
1 35.121120
2 54.935540
3 77.413500
4 113.899000
5 138.118900
6 739.326970
7 871.409914
Name: ionization_energy, dtype: float64
[7]:
nist_ioniz.get_ground_levels()
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2P' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '3P' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2P' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '4S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '3P' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2P' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '3P' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '4S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '3P' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2P' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '1S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[ py.warnings][WARNING] - /home/runner/work/carsus/carsus/carsus/io/nist/ionization.py:250: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '2S' has dtype incompatible with float64, please explicitly cast to a compatible dtype first.
lvl["term"] = "".join([str(_) for _ in lvl_tokens["ls_term"]])
(warnings.py:112)
[7]:
| atomic_number | ion_charge | g | energy | |
|---|---|---|---|---|
| 0 | 1 | 0 | 2 | 0.0 |
| 1 | 2 | 0 | 1 | 0.0 |
| 2 | 2 | 1 | 2 | 0.0 |
| 3 | 3 | 0 | 2 | 0.0 |
| 4 | 3 | 1 | 1 | 0.0 |
| 5 | 3 | 2 | 2 | 0.0 |
| 6 | 4 | 0 | 1 | 0.0 |
| 7 | 4 | 1 | 2 | 0.0 |
| 8 | 4 | 2 | 1 | 0.0 |
| 9 | 4 | 3 | 2 | 0.0 |
| 10 | 5 | 0 | 2 | 0.0 |
| 11 | 5 | 1 | 1 | 0.0 |
| 12 | 5 | 2 | 2 | 0.0 |
| 13 | 5 | 3 | 1 | 0.0 |
| 14 | 5 | 4 | 2 | 0.0 |
| 15 | 6 | 0 | 1 | 0.0 |
| 16 | 6 | 1 | 2 | 0.0 |
| 17 | 6 | 2 | 1 | 0.0 |
| 18 | 6 | 3 | 2 | 0.0 |
| 19 | 6 | 4 | 1 | 0.0 |
| 20 | 6 | 5 | 2 | 0.0 |
| 21 | 7 | 0 | 4 | 0.0 |
| 22 | 7 | 1 | 1 | 0.0 |
| 23 | 7 | 2 | 2 | 0.0 |
| 24 | 7 | 3 | 1 | 0.0 |
| 25 | 7 | 4 | 2 | 0.0 |
| 26 | 7 | 5 | 1 | 0.0 |
| 27 | 7 | 6 | 2 | 0.0 |
| 28 | 8 | 0 | 5 | 0.0 |
| 29 | 8 | 1 | 4 | 0.0 |
| 30 | 8 | 2 | 1 | 0.0 |
| 31 | 8 | 3 | 2 | 0.0 |
| 32 | 8 | 4 | 1 | 0.0 |
| 33 | 8 | 5 | 2 | 0.0 |
| 34 | 8 | 6 | 1 | 0.0 |
| 35 | 8 | 7 | 2 | 0.0 |