python3-nist

2014-03-27 19:21 UTC
  • Xyne

Metadata

Description:

Modules for accessing and working with data from the National Institute of Standards and Technology (NIST).

Latest Version:

2013.10

Architecture:

  • any

Dependencies:

Optional Dependencies:

Arch Repositories:

  • [xyne-any]
  • [xyne-i686]
  • [xyne-x86_64]

AUR ID:

63992

Arch Forum ID:

151524

Tags:

About

The NIST package provides modules for retrieving and caching scientific data from the National Institute of Standards and Technology (NIST).

Modules

NIST.Isotopes

This module retrieves isotope data from http://www.nist.gov/pml/data/comp.cfm and provides several functions for extracting. The Isotopes object is a wrapper around the underlying caching database and should be used when full access to all of the isotope data is necessary. The Query object is a simplified wrapper around Isotopes for more basic usage.

The module's main routine provides a fully functional command-line interface for retrieving data. It also provides support for determining the molecular weights of chemicals based on formula or InChi. This function is wrapped by nist-isotopes. See the help message below.

Examples

from NIST.Isotopes import Query
from SciNum import DecimalWithUnits as DwU

q = Query()
n = DwU('8', 'mol')
for formula in ('CH4', 'O2', 'CO2', 'InChI=1S/C4H5As/c1-2-4-5-3-1/h1-5H'):
  mol_mass = q.molecular_weight(formula)
  print(formula, ':', mol_mass, '*', n, '=', mol_mass * n)

CH4 : 16.04246 {±0.00108} g mol^{-1} * 8 mol = 128.33968 {±0.00864} g
O2 : 31.9988 {±0.0006} g mol^{-1} * 8 mol = 255.9904 {±0.0048} g
CO2 : 44.0095 {±0.0014} g mol^{-1} * 8 mol = 352.0760 {±0.0112} g
InChI=1S/C4H5As/c1-2-4-5-3-1/h1-5H : 128.00410 {±0.00357} g mol^{-1} * 8 mol = 1024.03280 {±0.02856} g

NIST.PhysicalConstants

This module provides an interface for retrieving physical constants from http://physics.nist.gov/cuu/Constants/ via the PhysicalConstants object.

The module's main function provides a complete command-line interface for querying physical constants. See the output below.

Examples

Source Code

#!/usr/bin/env python3

"""
A very simple example of using SciNum and NIST.PhysicalConstants to calculate
the pressure of an ideal gas.

The following are demonstrated:

* retrieval of physical constants
* declaration of physical quantities
* basic arithmetic
* reduction to SI base units
* expression in desired units by substitution
"""

from SciNum import DecimalWithUnits as DwU, MeasuredDecimalWithUnits as MDwU
from SciNum.units import Units, Definition, SI_DERIVED_UNIT_DEFINITIONS
from SciNum.units import reduce_to_base_units, express
from NIST.PhysicalConstants import PhysicalConstants

pc = PhysicalConstants()

# This is just to show unit multiplication.
k_b = pc['Boltzmann constant']
N_A = pc['Avogadro constant']
R = k_b * N_A

# This would work as well
# R = pc['molar gas constant']

# Measured decimals are used here to keep track of significant figures. Each
# number has 3 and so 3 sigfigs will be included in the output. Digits beyond
# those are just placeholders.
n = MDwU('5.00', 'mol')
T = MDwU('300', 'K')
V = MDwU('2.00', 'm^3')

# Calculate the pressure p from the ideal gas law.
p = (n * R * T) / V

# Display some output.
print("Given:")
print('k_b =', k_b)
print('N_A =', N_A)
# Display fewer digits for R.
print('R =', format(R, '.5f'))
print('n =', n)
print('T =', T)
print('V =', V)
print()

print("Rearranging the ideal gas law (pV = nRT) to solve for p")
print("p = (nRT)/V")
print("p = (%s * %s * %s)/(%s)" % (n, format(R, '.5f'), T, V))
print("p = (%s)/(%s)" % (n * R * T, V))

# Express p in default units (whatever the constants and the above values happen
# to be expressed in).
print('p =', format(p, 'f'), "(%d significant figure(s))" % p.precision)

# Express p in SI base units.
p_SI = p.reduce_to_base_units()
print('  =', format(p_SI, 'f'))

# Express p in Pa
# The Definition for Pa could have been created directly instead of manipulating
# SI_DERIVED_UNIT_DEFINITIONS.
Pa_base, Pa_factor = reduce_to_base_units(SI_DERIVED_UNIT_DEFINITIONS['Pa'])
Pa_def = Definition('Pa', Pa_base, Pa_factor)
m_def = express(Pa_def, 'm')
p_Pa = p_SI.substitute_units((m_def,))
print('  =', format(p_Pa, 'f'))

Output

Given:
k_b = 1.3806488e-23 {±0.0000013e-23} J K^{-1}
N_A = 6.02214129e+23 {±0.00000027e+23} mol^{-1}
R = 8.31446 {±0.00001} J K^{-1} mol^{-1}
n = 5.00 mol
T = 300 K
V = 2.00 m^{3}

Rearranging the ideal gas law (pV = nRT) to solve for p
p = (nRT)/V
p = (5.00 mol * 8.31446 {±0.00001} J K^{-1} mol^{-1} * 300 K)/(2.00 m^{3})
p = (1.25E+4 J)/(2.00 m^{3})
p = 6240 J m^{-3} (3 significant figure(s))
  = 6240 kg m^{-1} s^{-2}
  = 6240 Pa

NIST.DB

This module provides the database caching functionality for the other modules.

Scripts

Wrapper scripts are provide for querying data from the command line:

  • nist-isotopes: query isotope data or get molecular weights for formulae
  • nist-phys_const: query physical constants

Note that the scripts provide an option to draw tables using box-drawing characters. This is not shown below because Firefox is unable to draw such characters correctly (it breaks the table). Try the example commands yourself with the --box option.

nist-phys_const: Help Message

$ nist-phys_const -h

usage: nist-phys_const [-h] [--union] [--box] [--max-width n]
                       [--database <path>] [--refresh]
                       [<search term> [<search term> ...]]

Query NIST physical constants. Source: http://physics.nist.gov/cuu/Constants/

positional arguments:
  <search term>

optional arguments:
  -h, --help         show this help message and exit
  --union            display the union of matching results instead of the
                     intersection

display options:
  --box              render table with box-drawing characters
  --max-width n      maximum width of formula field when displaying weights

database options:
  --database <path>  set the database path
  --refresh          refresh the data in the database (almost always
                     unnecessary)

Search terms may use "%" as wildcards, e.g. "%foo%" will match anything
containing "foo". If no search terms are given then all constants will be
returned.

nist-phys_const: NIST Physical Constants

$ nist-phys_const

                         Quantity                                Value         Uncertainty      Unit     
--------------------------------------------------------- -------------------- ----------- --------------
{220} lattice spacing of silicon                           1.920155714e-10       3.2e-18   m             
alpha particle-electron mass ratio                         7.2942995361e+3       2.9e-6                  
alpha particle mass                                        6.64465675e-27        2.9e-34   kg            
alpha particle mass energy equivalent                      5.97191967e-10        2.6e-17   J             
alpha particle mass energy equivalent in MeV               3.727379240e+3        8.2e-5    MeV           
alpha particle mass in u                                   4.001506179125e+0     6.2e-11   u             
alpha particle molar mass                                  4.001506179125e-3     6.2e-14   kg mol^-1     
alpha particle-proton mass ratio                           3.97259968933e+0      3.6e-10                 
Angstrom star                                              1.00001495e-10        9.0e-17   m             
atomic mass constant                                       1.660538921e-27       7.3e-35   kg            
atomic mass constant energy equivalent                     1.492417954e-10       6.6e-18   J             
atomic mass constant energy equivalent in MeV              9.31494061e+2         2.1e-5    MeV           
atomic mass unit-electron volt relationship                9.31494061e+8         2.1e+1    eV            
atomic mass unit-hartree relationship                      3.4231776845e+7       2.4e-2    E_h           
atomic mass unit-hertz relationship                        2.2523427168e+23      1.6e+14   Hz            
atomic mass unit-inverse meter relationship                7.5130066042e+14      5.3e+5    m^-1          
atomic mass unit-joule relationship                        1.492417954e-10       6.6e-18   J             
atomic mass unit-kelvin relationship                       1.08095408e+13        9.8e+6    K             
atomic mass unit-kilogram relationship                     1.660538921e-27       7.3e-35   kg            
atomic unit of 1st hyperpolarizability                     3.206361449e-53       7.1e-61   C^3 m^3 J^-2  
atomic unit of 2nd hyperpolarizability                     6.23538054e-65        2.8e-72   C^4 m^4 J^-3  
atomic unit of action                                      1.054571726e-34       4.7e-42   J s           
atomic unit of charge                                      1.602176565e-19       3.5e-27   C             
atomic unit of charge density                              1.081202338e+12       2.4e+4    C m^-3        
atomic unit of current                                     6.62361795e-3         1.5e-10   A             
atomic unit of electric dipole moment                      8.47835326e-30        1.9e-37   C m           
atomic unit of electric field                              5.14220652e+11        1.1e+4    V m^-1        
atomic unit of electric field gradient                     9.71736200e+21        2.1e+14   V m^-2        
atomic unit of electric polarizability                     1.6487772754e-41      1.6e-50   C^2 m^2 J^-1  
atomic unit of electric potential                          2.721138505e+1        6.0e-7    V             
atomic unit of electric quadrupole moment                  4.486551331e-40       9.9e-48   C m^2         
atomic unit of energy                                      4.35974434e-18        1.9e-25   J             
atomic unit of force                                       8.23872278e-8         3.6e-15   N             
atomic unit of length                                      5.2917721092e-11      1.7e-20   m             
atomic unit of magnetic dipole moment                      1.854801936e-23       4.1e-31   J T^-1        
atomic unit of magnetic flux density                       2.350517464e+5        5.2e-3    T             
atomic unit of magnetizability                             7.891036607e-29       1.3e-37   J T^-2        
atomic unit of mass                                        9.10938291e-31        4.0e-38   kg            
atomic unit of momentum                                    1.992851740e-24       8.8e-32   kg m s^-1     
atomic unit of permittivity                                1.112650056...e-10              F m^-1        
atomic unit of time                                        2.418884326502e-17    1.2e-28   s             
atomic unit of velocity                                    2.18769126379e+6      7.1e-4    m s^-1        
Avogadro constant                                          6.02214129e+23        2.7e+16   mol^-1        
Bohr magneton                                              9.27400968e-24        2.0e-31   J T^-1        
Bohr magneton in eV/T                                      5.7883818066e-5       3.8e-14   eV T^-1       
Bohr magneton in Hz/T                                      1.399624555e+10       3.1e+2    Hz T^-1       
Bohr magneton in inverse meters per tesla                  4.66864498e+1         1.0e-6    m^-1 T^-1     
Bohr magneton in K/T                                       6.7171388e-1          6.1e-7    K T^-1        
Bohr radius                                                5.2917721092e-11      1.7e-20   m             
Boltzmann constant                                         1.3806488e-23         1.3e-29   J K^-1        
Boltzmann constant in eV/K                                 8.6173324e-5          7.8e-11   eV K^-1       
Boltzmann constant in Hz/K                                 2.0836618e+10         1.9e+4    Hz K^-1       
Boltzmann constant in inverse meters per kelvin            6.9503476e+1          6.3e-5    m^-1 K^-1     
characteristic impedance of vacuum                         3.76730313461...e+2             ohm           
classical electron radius                                  2.8179403267e-15      2.7e-24   m             
Compton wavelength                                         2.4263102389e-12      1.6e-21   m             
Compton wavelength over 2 pi                               3.8615926800e-13      2.5e-22   m             
conductance quantum                                        7.7480917346e-5       2.5e-14   S             
conventional value of Josephson constant                   4.835979e+14                    Hz V^-1       
conventional value of von Klitzing constant                2.5812807e+4                    ohm           
Cu x unit                                                  1.00207697e-13        2.8e-20   m             
deuteron-electron magnetic moment ratio                   -4.664345537e-4        3.9e-12                 
deuteron-electron mass ratio                               3.6704829652e+3       1.5e-6                  
deuteron g factor                                          8.574382308e-1        7.2e-9                  
deuteron magnetic moment                                   4.33073489e-27        1.0e-34   J T^-1        
deuteron magnetic moment to Bohr magneton ratio            4.669754556e-4        3.9e-12                 
deuteron magnetic moment to nuclear magneton ratio         8.574382308e-1        7.2e-9                  
deuteron mass                                              3.34358348e-27        1.5e-34   kg            
deuteron mass energy equivalent                            3.00506297e-10        1.3e-17   J             
deuteron mass energy equivalent in MeV                     1.875612859e+3        4.1e-5    MeV           
deuteron mass in u                                         2.013553212712e+0     7.7e-11   u             
deuteron molar mass                                        2.013553212712e-3     7.7e-14   kg mol^-1     
deuteron-neutron magnetic moment ratio                    -4.4820652e-1          1.1e-7                  
deuteron-proton magnetic moment ratio                      3.070122070e-1        2.4e-9                  
deuteron-proton mass ratio                                 1.99900750097e+0      1.8e-10                 
deuteron rms charge radius                                 2.1424e-15            2.1e-18   m             
electric constant                                          8.854187817...e-12              F m^-1        
electron charge to mass quotient                          -1.758820088e+11       3.9e+3    C kg^-1       
electron-deuteron magnetic moment ratio                   -2.143923498e+3        1.8e-5                  
electron-deuteron mass ratio                               2.7244371095e-4       1.1e-13                 
electron g factor                                         -2.00231930436153e+0   5.3e-13                 
electron gyromagnetic ratio                                1.760859708e+11       3.9e+3    s^-1 T^-1     
electron gyromagnetic ratio over 2 pi                      2.802495266e+4        6.2e-4    MHz T^-1      
electron-helion mass ratio                                 1.8195430761e-4       1.7e-13                 
electron magnetic moment                                  -9.28476430e-24        2.1e-31   J T^-1        
electron magnetic moment anomaly                           1.15965218076e-3      2.7e-13                 
electron magnetic moment to Bohr magneton ratio           -1.00115965218076e+0   2.7e-13                 
electron magnetic moment to nuclear magneton ratio        -1.83828197090e+3      7.5e-7                  
electron mass                                              9.10938291e-31        4.0e-38   kg            
electron mass energy equivalent                            8.18710506e-14        3.6e-21   J             
electron mass energy equivalent in MeV                     5.10998928e-1         1.1e-8    MeV           
electron mass in u                                         5.4857990946e-4       2.2e-13   u             
electron molar mass                                        5.4857990946e-7       2.2e-16   kg mol^-1     
electron-muon magnetic moment ratio                        2.067669896e+2        5.2e-6                  
electron-muon mass ratio                                   4.83633166e-3         1.2e-10                 
electron-neutron magnetic moment ratio                     9.6092050e+2          2.3e-4                  
electron-neutron mass ratio                                5.4386734461e-4       3.2e-13                 
electron-proton magnetic moment ratio                     -6.582106848e+2        5.4e-6                  
electron-proton mass ratio                                 5.4461702178e-4       2.2e-13                 
electron-tau mass ratio                                    2.87592e-4            2.6e-8                  
electron to alpha particle mass ratio                      1.37093355578e-4      5.5e-14                 
electron to shielded helion magnetic moment ratio          8.64058257e+2         1.0e-5                  
electron to shielded proton magnetic moment ratio         -6.582275971e+2        7.2e-6                  
electron-triton mass ratio                                 1.8192000653e-4       1.7e-13                 
electron volt                                              1.602176565e-19       3.5e-27   J             
electron volt-atomic mass unit relationship                1.073544150e-9        2.4e-17   u             
electron volt-hartree relationship                         3.674932379e-2        8.1e-10   E_h           
electron volt-hertz relationship                           2.417989348e+14       5.3e+6    Hz            
electron volt-inverse meter relationship                   8.06554429e+5         1.8e-2    m^-1          
electron volt-joule relationship                           1.602176565e-19       3.5e-27   J             
electron volt-kelvin relationship                          1.1604519e+4          1.1e-2    K             
electron volt-kilogram relationship                        1.782661845e-36       3.9e-44   kg            
elementary charge                                          1.602176565e-19       3.5e-27   C             
elementary charge over h                                   2.417989348e+14       5.3e+6    A J^-1        
Faraday constant                                           9.64853365e+4         2.1e-3    C mol^-1      
Faraday constant for conventional electric current         9.64853321e+4         4.3e-3    C_90 mol^-1   
Fermi coupling constant                                    1.166364e-5           5.e-11    GeV^-2        
fine-structure constant                                    7.2973525698e-3       2.4e-12                 
first radiation constant                                   3.74177153e-16        1.7e-23   W m^2         
first radiation constant for spectral radiance             1.191042869e-16       5.3e-24   W m^2 sr^-1   
hartree-atomic mass unit relationship                      2.9212623246e-8       2.1e-17   u             
hartree-electron volt relationship                         2.721138505e+1        6.0e-7    eV            
Hartree energy                                             4.35974434e-18        1.9e-25   J             
Hartree energy in eV                                       2.721138505e+1        6.0e-7    eV            
hartree-hertz relationship                                 6.579683920729e+15    3.3e+4    Hz            
hartree-inverse meter relationship                         2.194746313708e+7     1.1e-4    m^-1          
hartree-joule relationship                                 4.35974434e-18        1.9e-25   J             
hartree-kelvin relationship                                3.1577504e+5          2.9e-1    K             
hartree-kilogram relationship                              4.85086979e-35        2.1e-42   kg            
helion-electron mass ratio                                 5.4958852754e+3       5.0e-6                  
helion g factor                                           -4.255250613e+0        5.0e-8                  
helion magnetic moment                                    -1.074617486e-26       2.7e-34   J T^-1        
helion magnetic moment to Bohr magneton ratio             -1.158740958e-3        1.4e-11                 
helion magnetic moment to nuclear magneton ratio          -2.127625306e+0        2.5e-8                  
helion mass                                                5.00641234e-27        2.2e-34   kg            
helion mass energy equivalent                              4.49953902e-10        2.0e-17   J             
helion mass energy equivalent in MeV                       2.808391482e+3        6.2e-5    MeV           
helion mass in u                                           3.0149322468e+0       2.5e-9    u             
helion molar mass                                          3.0149322468e-3       2.5e-12   kg mol^-1     
helion-proton mass ratio                                   2.9931526707e+0       2.5e-9                  
hertz-atomic mass unit relationship                        4.4398216689e-24      3.1e-33   u             
hertz-electron volt relationship                           4.135667516e-15       9.1e-23   eV            
hertz-hartree relationship                                 1.5198298460045e-16   7.6e-28   E_h           
hertz-inverse meter relationship                           3.335640951...e-9               m^-1          
hertz-joule relationship                                   6.62606957e-34        2.9e-41   J             
hertz-kelvin relationship                                  4.7992434e-11         4.4e-17   K             
hertz-kilogram relationship                                7.37249668e-51        3.3e-58   kg            
inverse fine-structure constant                            1.37035999074e+2      4.4e-8                  
inverse meter-atomic mass unit relationship                1.33102505120e-15     9.4e-25   u             
inverse meter-electron volt relationship                   1.239841930e-6        2.7e-14   eV            
inverse meter-hartree relationship                         4.556335252755e-8     2.3e-19   E_h           
inverse meter-hertz relationship                           2.99792458e+8                   Hz            
inverse meter-joule relationship                           1.986445684e-25       8.8e-33   J             
inverse meter-kelvin relationship                          1.4387770e-2          1.3e-8    K             
inverse meter-kilogram relationship                        2.210218902e-42       9.8e-50   kg            
inverse of conductance quantum                             1.29064037217e+4      4.2e-6    ohm           
Josephson constant                                         4.83597870e+14        1.1e+7    Hz V^-1       
joule-atomic mass unit relationship                        6.70053585e+9         3.0e+2    u             
joule-electron volt relationship                           6.24150934e+18        1.4e+11   eV            
joule-hartree relationship                                 2.29371248e+17        1.0e+10   E_h           
joule-hertz relationship                                   1.509190311e+33       6.7e+25   Hz            
joule-inverse meter relationship                           5.03411701e+24        2.2e+17   m^-1          
joule-kelvin relationship                                  7.2429716e+22         6.6e+16   K             
joule-kilogram relationship                                1.112650056...e-17              kg            
kelvin-atomic mass unit relationship                       9.2510868e-14         8.4e-20   u             
kelvin-electron volt relationship                          8.6173324e-5          7.8e-11   eV            
kelvin-hartree relationship                                3.1668114e-6          2.9e-12   E_h           
kelvin-hertz relationship                                  2.0836618e+10         1.9e+4    Hz            
kelvin-inverse meter relationship                          6.9503476e+1          6.3e-5    m^-1          
kelvin-joule relationship                                  1.3806488e-23         1.3e-29   J             
kelvin-kilogram relationship                               1.5361790e-40         1.4e-46   kg            
kilogram-atomic mass unit relationship                     6.02214129e+26        2.7e+19   u             
kilogram-electron volt relationship                        5.60958885e+35        1.2e+28   eV            
kilogram-hartree relationship                              2.061485968e+34       9.1e+26   E_h           
kilogram-hertz relationship                                1.356392608e+50       6.0e+42   Hz            
kilogram-inverse meter relationship                        4.52443873e+41        2.0e+34   m^-1          
kilogram-joule relationship                                8.987551787...e+16              J             
kilogram-kelvin relationship                               6.5096582e+39         5.9e+33   K             
lattice parameter of silicon                               5.431020504e-10       8.9e-18   m             
Loschmidt constant (273.15 K, 100 kPa)                     2.6516462e+25         2.4e+19   m^-3          
Loschmidt constant (273.15 K, 101.325 kPa)                 2.6867805e+25         2.4e+19   m^-3          
magnetic constant                                          1.2566370614...e-6              N A^-2        
magnetic flux quantum                                      2.067833758e-15       4.6e-23   Wb            
molar gas constant                                         8.3144621e+0          7.5e-6    J mol^-1 K^-1 
molar mass constant                                        1.e-3                           kg mol^-1     
molar mass of carbon-12                                    1.2e-2                          kg mol^-1     
molar Planck constant                                      3.9903127176e-10      2.8e-19   J s mol^-1    
molar Planck constant times c                              1.19626565779e-1      8.4e-11   J m mol^-1    
molar volume of ideal gas (273.15 K, 100 kPa)              2.2710953e-2          2.1e-8    m^3 mol^-1    
molar volume of ideal gas (273.15 K, 101.325 kPa)          2.2413968e-2          2.0e-8    m^3 mol^-1    
molar volume of silicon                                    1.205883301e-5        8.0e-13   m^3 mol^-1    
Mo x unit                                                  1.00209952e-13        5.3e-20   m             
muon Compton wavelength                                    1.173444103e-14       3.0e-22   m             
muon Compton wavelength over 2 pi                          1.867594294e-15       4.7e-23   m             
muon-electron mass ratio                                   2.067682843e+2        5.2e-6                  
muon g factor                                             -2.0023318418e+0       1.3e-9                  
muon magnetic moment                                      -4.49044807e-26        1.5e-33   J T^-1        
muon magnetic moment anomaly                               1.16592091e-3         6.3e-10                 
muon magnetic moment to Bohr magneton ratio               -4.84197044e-3         1.2e-10                 
muon magnetic moment to nuclear magneton ratio            -8.89059697e+0         2.2e-7                  
muon mass                                                  1.883531475e-28       9.6e-36   kg            
muon mass energy equivalent                                1.692833667e-11       8.6e-19   J             
muon mass energy equivalent in MeV                         1.056583715e+2        3.5e-6    MeV           
muon mass in u                                             1.134289267e-1        2.9e-9    u             
muon molar mass                                            1.134289267e-4        2.9e-12   kg mol^-1     
muon-neutron mass ratio                                    1.124545177e-1        2.8e-9                  
muon-proton magnetic moment ratio                         -3.183345107e+0        8.4e-8                  
muon-proton mass ratio                                     1.126095272e-1        2.8e-9                  
muon-tau mass ratio                                        5.94649e-2            5.4e-6                  
natural unit of action                                     1.054571726e-34       4.7e-42   J s           
natural unit of action in eV s                             6.58211928e-16        1.5e-23   eV s          
natural unit of energy                                     8.18710506e-14        3.6e-21   J             
natural unit of energy in MeV                              5.10998928e-1         1.1e-8    MeV           
natural unit of length                                     3.8615926800e-13      2.5e-22   m             
natural unit of mass                                       9.10938291e-31        4.0e-38   kg            
natural unit of momentum                                   2.73092429e-22        1.2e-29   kg m s^-1     
natural unit of momentum in MeV/c                          5.10998928e-1         1.1e-8    MeV/c         
natural unit of time                                       1.28808866833e-21     8.3e-31   s             
natural unit of velocity                                   2.99792458e+8                   m s^-1        
neutron Compton wavelength                                 1.3195909068e-15      1.1e-24   m             
neutron Compton wavelength over 2 pi                       2.1001941568e-16      1.7e-25   m             
neutron-electron magnetic moment ratio                     1.04066882e-3         2.5e-10                 
neutron-electron mass ratio                                1.8386836605e+3       1.1e-6                  
neutron g factor                                          -3.82608545e+0         9.0e-7                  
neutron gyromagnetic ratio                                 1.83247179e+8         4.3e+1    s^-1 T^-1     
neutron gyromagnetic ratio over 2 pi                       2.91646943e+1         6.9e-6    MHz T^-1      
neutron magnetic moment                                   -9.6623647e-27         2.3e-33   J T^-1        
neutron magnetic moment to Bohr magneton ratio            -1.04187563e-3         2.5e-10                 
neutron magnetic moment to nuclear magneton ratio         -1.91304272e+0         4.5e-7                  
neutron mass                                               1.674927351e-27       7.4e-35   kg            
neutron mass energy equivalent                             1.505349631e-10       6.6e-18   J             
neutron mass energy equivalent in MeV                      9.39565379e+2         2.1e-5    MeV           
neutron mass in u                                          1.00866491600e+0      4.3e-10   u             
neutron molar mass                                         1.00866491600e-3      4.3e-13   kg mol^-1     
neutron-muon mass ratio                                    8.89248400e+0         2.2e-7                  
neutron-proton magnetic moment ratio                      -6.8497934e-1          1.6e-7                  
neutron-proton mass difference                             2.30557392e-30        7.6e-37                 
neutron-proton mass difference energy equivalent           2.07214650e-13        6.8e-20                 
neutron-proton mass difference energy equivalent in MeV    1.29333217e+0         4.2e-7                  
neutron-proton mass difference in u                        1.38844919e-3         4.5e-10                 
neutron-proton mass ratio                                  1.00137841917e+0      4.5e-10                 
neutron-tau mass ratio                                     5.28790e-1            4.8e-5                  
neutron to shielded proton magnetic moment ratio          -6.8499694e-1          1.6e-7                  
Newtonian constant of gravitation                          6.67384e-11           8.0e-15   m^3 kg^-1 s^-2
Newtonian constant of gravitation over h-bar c             6.70837e-39           8.0e-43   (GeV/c^2)^-2  
nuclear magneton                                           5.05078353e-27        1.1e-34   J T^-1        
nuclear magneton in eV/T                                   3.1524512605e-8       2.2e-17   eV T^-1       
nuclear magneton in inverse meters per tesla               2.542623527e-2        5.6e-10   m^-1 T^-1     
nuclear magneton in K/T                                    3.6582682e-4          3.3e-10   K T^-1        
nuclear magneton in MHz/T                                  7.62259357e+0         1.7e-7    MHz T^-1      
Planck constant                                            6.62606957e-34        2.9e-41   J s           
Planck constant in eV s                                    4.135667516e-15       9.1e-23   eV s          
Planck constant over 2 pi                                  1.054571726e-34       4.7e-42   J s           
Planck constant over 2 pi in eV s                          6.58211928e-16        1.5e-23   eV s          
Planck constant over 2 pi times c in MeV fm                1.973269718e+2        4.4e-6    MeV fm        
Planck length                                              1.616199e-35          9.7e-40   m             
Planck mass                                                2.17651e-8            1.3e-12   kg            
Planck mass energy equivalent in GeV                       1.220932e+19          7.3e+14   GeV           
Planck temperature                                         1.416833e+32          8.5e+27   K             
Planck time                                                5.39106e-44           3.2e-48   s             
proton charge to mass quotient                             9.57883358e+7         2.1e+0    C kg^-1       
proton Compton wavelength                                  1.32140985623e-15     9.4e-25   m             
proton Compton wavelength over 2 pi                        2.1030891047e-16      1.5e-25   m             
proton-electron mass ratio                                 1.83615267245e+3      7.5e-7                  
proton g factor                                            5.585694713e+0        4.6e-8                  
proton gyromagnetic ratio                                  2.675222005e+8        6.3e+0    s^-1 T^-1     
proton gyromagnetic ratio over 2 pi                        4.25774806e+1         1.0e-6    MHz T^-1      
proton magnetic moment                                     1.410606743e-26       3.3e-34   J T^-1        
proton magnetic moment to Bohr magneton ratio              1.521032210e-3        1.2e-11                 
proton magnetic moment to nuclear magneton ratio           2.792847356e+0        2.3e-8                  
proton magnetic shielding correction                       2.5694e-5             1.4e-8                  
proton mass                                                1.672621777e-27       7.4e-35   kg            
proton mass energy equivalent                              1.503277484e-10       6.6e-18   J             
proton mass energy equivalent in MeV                       9.38272046e+2         2.1e-5    MeV           
proton mass in u                                           1.007276466812e+0     9.0e-11   u             
proton molar mass                                          1.007276466812e-3     9.0e-14   kg mol^-1     
proton-muon mass ratio                                     8.88024331e+0         2.2e-7                  
proton-neutron magnetic moment ratio                      -1.45989806e+0         3.4e-7                  
proton-neutron mass ratio                                  9.9862347826e-1       4.5e-10                 
proton rms charge radius                                   8.775e-16             5.1e-18   m             
proton-tau mass ratio                                      5.28063e-1            4.8e-5                  
quantum of circulation                                     3.6369475520e-4       2.4e-13   m^2 s^-1      
quantum of circulation times 2                             7.2738951040e-4       4.7e-13   m^2 s^-1      
Rydberg constant                                           1.0973731568539e+7    5.5e-5    m^-1          
Rydberg constant times c in Hz                             3.289841960364e+15    1.7e+4    Hz            
Rydberg constant times hc in eV                            1.360569253e+1        3.0e-7    eV            
Rydberg constant times hc in J                             2.179872171e-18       9.6e-26   J             
Sackur-Tetrode constant (1 K, 100 kPa)                    -1.1517078e+0          2.3e-6                  
Sackur-Tetrode constant (1 K, 101.325 kPa)                -1.1648708e+0          2.3e-6                  
second radiation constant                                  1.4387770e-2          1.3e-8    m K           
shielded helion gyromagnetic ratio                         2.037894659e+8        5.1e+0    s^-1 T^-1     
shielded helion gyromagnetic ratio over 2 pi               3.243410084e+1        8.1e-7    MHz T^-1      
shielded helion magnetic moment                           -1.074553044e-26       2.7e-34   J T^-1        
shielded helion magnetic moment to Bohr magneton ratio    -1.158671471e-3        1.4e-11                 
shielded helion magnetic moment to nuclear magneton ratio -2.127497718e+0        2.5e-8                  
shielded helion to proton magnetic moment ratio           -7.61766558e-1         1.1e-8                  
shielded helion to shielded proton magnetic moment ratio  -7.617861313e-1        3.3e-9                  
shielded proton gyromagnetic ratio                         2.675153268e+8        6.6e+0    s^-1 T^-1     
shielded proton gyromagnetic ratio over 2 pi               4.25763866e+1         1.0e-6    MHz T^-1      
shielded proton magnetic moment                            1.410570499e-26       3.5e-34   J T^-1        
shielded proton magnetic moment to Bohr magneton ratio     1.520993128e-3        1.7e-11                 
shielded proton magnetic moment to nuclear magneton ratio  2.792775598e+0        3.0e-8                  
speed of light in vacuum                                   2.99792458e+8                   m s^-1        
standard acceleration of gravity                           9.80665e+0                      m s^-2        
standard atmosphere                                        1.01325e+5                      Pa            
standard-state pressure                                    1.00000e+5                      Pa            
Stefan-Boltzmann constant                                  5.670373e-8           2.1e-13   W m^-2 K^-4   
tau Compton wavelength                                     6.97787e-16           6.3e-20   m             
tau Compton wavelength over 2 pi                           1.11056e-16           1.0e-20   m             
tau-electron mass ratio                                    3.47715e+3            3.1e-1                  
tau mass                                                   3.16747e-27           2.9e-31   kg            
tau mass energy equivalent                                 2.84678e-10           2.6e-14   J             
tau mass energy equivalent in MeV                          1.77682e+3            1.6e-1    MeV           
tau mass in u                                              1.90749e+0            1.7e-4    u             
tau molar mass                                             1.90749e-3            1.7e-7    kg mol^-1     
tau-muon mass ratio                                        1.68167e+1            1.5e-3                  
tau-neutron mass ratio                                     1.89111e+0            1.7e-4                  
tau-proton mass ratio                                      1.89372e+0            1.7e-4                  
Thomson cross section                                      6.652458734e-29       1.3e-37   m^2           
triton-electron mass ratio                                 5.4969215267e+3       5.0e-6                  
triton g factor                                            5.957924896e+0        7.6e-8                  
triton magnetic moment                                     1.504609447e-26       3.8e-34   J T^-1        
triton magnetic moment to Bohr magneton ratio              1.622393657e-3        2.1e-11                 
triton magnetic moment to nuclear magneton ratio           2.978962448e+0        3.8e-8                  
triton mass                                                5.00735630e-27        2.2e-34   kg            
triton mass energy equivalent                              4.50038741e-10        2.0e-17   J             
triton mass energy equivalent in MeV                       2.808921005e+3        6.2e-5    MeV           
triton mass in u                                           3.0155007134e+0       2.5e-9    u             
triton molar mass                                          3.0155007134e-3       2.5e-12   kg mol^-1     
triton-proton mass ratio                                   2.9937170308e+0       2.5e-9                  
unified atomic mass unit                                   1.660538921e-27       7.3e-35   kg            
von Klitzing constant                                      2.58128074434e+4      8.4e-6    ohm           
weak mixing angle                                          2.223e-1              2.1e-3                  
Wien frequency displacement law constant                   5.8789254e+10         5.3e+4    Hz K^-1       
Wien wavelength displacement law constant                  2.8977721e-3          2.6e-9    m K           

nist-phys_const: Query Example

$ nist-phys_const %boltz%

                    Quantity                        Value     Uncertainty     Unit   
----------------------------------------------- ------------- ----------- -----------
Boltzmann constant                              1.3806488e-23   1.3e-29   J K^-1     
Boltzmann constant in eV/K                      8.6173324e-5    7.8e-11   eV K^-1    
Boltzmann constant in Hz/K                      2.0836618e+10   1.9e+4    Hz K^-1    
Boltzmann constant in inverse meters per kelvin 6.9503476e+1    6.3e-5    m^-1 K^-1  
Stefan-Boltzmann constant                       5.670373e-8     2.1e-13   W m^-2 K^-4

nist-isotopes: Help Message

$ nist-isotopes -h

usage: nist-isotopes [-h] [-z] [-s] [-m] [--union] [-w] [--box]
                     [--format <python format string>] [--max-width n]
                     [--database <path>] [--refresh]
                     [args [args ...]]

Display NIST atomic weight and isotope data. Source:
http://www.nist.gov/pml/data/comp.cfm

positional arguments:
  args

optional arguments:
  -h, --help            show this help message and exit
  -z, --number          search by atomic number (the default)
  -s, --symbol          search by atomic symbol
  -m, --mass            search by mass number
  --union               display the union of matching results instead of the
                        intersection
  -w, --weight          calculate standard weights instead of searching for
                        isotope data

display options:
  --box                 render table with box-drawing characters
  --format <python format string>
                        a Python format string to use for numerical output
  --max-width n         maximum width of formula field when displaying weights

database options:
  --database <path>     set the database path)
  --refresh             refresh the data in the database (almost always
                        unnecessary)

Search terms may use "%" as wildcards, e.g. "%foo%" will match anything
containing "foo". When "-w" is used, arguments are interpretted as chemical
formulae or InChis and their atomic weight is calculated. If no arguments are
passed then a table of atomic weights will be displayed. For more information
such as an explanation of the notes, see http://www.nist.gov/pml/data/comp-
notes.cfm

nist-isotopes: NIST Standard Weights

$ nist-isotopes -w

Z   Symbol Standard Weight Uncertainty
--- ------ --------------- -----------
  1  H         1.00794     ±0.00007   
  2  He        4.002602    ±0.000002  
  3  Li        6.941       ±0.002     
  4  Be        9.012182    ±0.000003  
  5  B        10.811       ±0.007     
  6  C        12.0107      ±0.0008    
  7  N        14.0067      ±0.0002    
  8  O        15.9994      ±0.0003    
  9  F        18.9984032   ±0.0000005 
 10  Ne       20.1797      ±0.0006    
 11  Na       22.98976928  ±0.00000002
 12  Mg       24.3050      ±0.0006    
 13  Al       26.9815386   ±0.0000008 
 14  Si       28.0855      ±0.0003    
 15  P        30.973762    ±0.000002  
 16  S        32.065       ±0.005     
 17  Cl       35.453       ±0.002     
 18  Ar       39.948       ±0.001     
 19  K        39.0983      ±0.0001    
 20  Ca       40.078       ±0.004     
 21  Sc       44.955912    ±0.000006  
 22  Ti       47.867       ±0.001     
 23  V        50.9415      ±0.0001    
 24  Cr       51.9961      ±0.0006    
 25  Mn       54.938045    ±0.000005  
 26  Fe       55.845       ±0.002     
 27  Co       58.933195    ±0.000005  
 28  Ni       58.6934      ±0.0004    
 29  Cu       63.546       ±0.003     
 30  Zn       65.38        ±0.02      
 31  Ga       69.723       ±0.001     
 32  Ge       72.64        ±0.01      
 33  As       74.92160     ±0.00002   
 34  Se       78.96        ±0.03      
 35  Br       79.904       ±0.001     
 36  Kr       83.798       ±0.002     
 37  Rb       85.4678      ±0.0003    
 38  Sr       87.62        ±0.01      
 39  Y        88.90585     ±0.00002   
 40  Zr       91.224       ±0.002     
 41  Nb       92.90638     ±0.00002   
 42  Mo       95.96        ±0.02      
 43  Tc       98                      
 44  Ru      101.07        ±0.02      
 45  Rh      102.90550     ±0.00002   
 46  Pd      106.42        ±0.01      
 47  Ag      107.8682      ±0.0002    
 48  Cd      112.411       ±0.008     
 49  In      114.818       ±0.003     
 50  Sn      118.710       ±0.007     
 51  Sb      121.760       ±0.001     
 52  Te      127.60        ±0.03      
 53  I       126.90447     ±0.00003   
 54  Xe      131.293       ±0.006     
 55  Cs      132.9054519   ±0.0000002 
 56  Ba      137.327       ±0.007     
 57  La      138.90547     ±0.00007   
 58  Ce      140.116       ±0.001     
 59  Pr      140.90765     ±0.00002   
 60  Nd      144.242       ±0.003     
 61  Pm      145                      
 62  Sm      150.36        ±0.02      
 63  Eu      151.964       ±0.001     
 64  Gd      157.25        ±0.03      
 65  Tb      158.92535     ±0.00002   
 66  Dy      162.500       ±0.001     
 67  Ho      164.93032     ±0.00002   
 68  Er      167.259       ±0.003     
 69  Tm      168.93421     ±0.00002   
 70  Yb      173.054       ±0.005     
 71  Lu      174.9668      ±0.0001    
 72  Hf      178.49        ±0.02      
 73  Ta      180.94788     ±0.00002   
 74  W       183.84        ±0.01      
 75  Re      186.207       ±0.001     
 76  Os      190.23        ±0.03      
 77  Ir      192.217       ±0.003     
 78  Pt      195.084       ±0.009     
 79  Au      196.966569    ±0.000004  
 80  Hg      200.59        ±0.02      
 81  Tl      204.3833      ±0.0002    
 82  Pb      207.2         ±0.1       
 83  Bi      208.98040     ±0.00001   
 84  Po      209                      
 85  At      210                      
 86  Rn      222                      
 87  Fr      223                      
 88  Ra      226                      
 89  Ac      227                      
 90  Th      232.03806     ±0.00002   
 91  Pa      231.03588     ±0.00002   
 92  U       238.02891     ±0.00003   
 93  Np      237                      
 94  Pu      244                      
 95  Am      243                      
 96  Cm      247                      
 97  Bk      247                      
 98  Cf      251                      
 99  Es      252                      
100  Fm      257                      
101  Md      258                      
102  No      259                      
103  Lr      262                      
104  Rf      265                      
105  Db      268                      
106  Sg      271                      
107  Bh      272                      
108  Hs      270                      
109  Mt      276                      
110  Ds      281                      
111  Rg      280                      
112  Cn      285                      
113  Uut     284                      
114  Uuq     289                      
115  Uup     288                      
116  Uuh     293                      
117  Uus     292                      
118  Uuo     294                      

nist-isotopes: Molecular Weight Queries

$ nist-isotopes -w CH3COOH CH3COCH3

Formula   Weight  Uncertainty
-------- -------- -----------
CH3COOH  60.05196   ±0.00248 
CH3COCH3 58.07914   ±0.00312 

nist-isotopes: Symbol Queries

$ nist-isotopes -s Si

Atomic Number Atomic Symbol Mass Number Relative Atomic Mass Isotopic Composition Standard Atomic Weight Notes
------------- ------------- ----------- -------------------- -------------------- ---------------------- -----
      14            Si           22      22.03453(22)#                                  28.0855(3)         r  
      14            Si           23      23.02552(21)#                                  28.0855(3)         r  
      14            Si           24      24.011546(21)                                  28.0855(3)         r  
      14            Si           25      25.004106(11)                                  28.0855(3)         r  
      14            Si           26      25.992330(3)                                   28.0855(3)         r  
      14            Si           27      26.98670491(16)                                28.0855(3)         r  
      14            Si           28      27.9769265325(19)       0.92223(19)            28.0855(3)         r  
      14            Si           29      28.976494700(22)        0.04685(8)             28.0855(3)         r  
      14            Si           30      29.97377017(3)          0.03092(11)            28.0855(3)         r  
      14            Si           31      30.97536323(4)                                 28.0855(3)         r  
      14            Si           32      31.97414808(5)                                 28.0855(3)         r  
      14            Si           33      32.978000(17)                                  28.0855(3)         r  
      14            Si           34      33.978576(15)                                  28.0855(3)         r  
      14            Si           35      34.984580(40)                                  28.0855(3)         r  
      14            Si           36      35.98660(13)                                   28.0855(3)         r  
      14            Si           37      36.99294(18)                                   28.0855(3)         r  
      14            Si           38      37.99563(15)                                   28.0855(3)         r  
      14            Si           39      39.00207(36)                                   28.0855(3)         r  
      14            Si           40      40.00587(60)                                   28.0855(3)         r  
      14            Si           41      41.01456(198)                                  28.0855(3)         r  
      14            Si           42      42.01979(54)#                                  28.0855(3)         r  
      14            Si           43      43.02866(75)#                                  28.0855(3)         r  
      14            Si           44      44.03526(86)#                                  28.0855(3)         r  
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