Filters

Y/N: Y, YES, Yes, yes and N, NO, No, no all can work.
If you don’t use it, write N here. You don’t need to change the content behind it.
If after using filters, the program gets an empty result, then you will receive an warning to ask you write new filter values to icrease the range.

Uncertainty filters

If UncFilter(Y/N) is yes, the value is the maximum uncertainty you require, in unit of cm⁻¹.

Threshold filters

If Threshold(Y/N) is yes, the value is the minimum intensity you require, in unit of cm/molecule.

Quantum number filters

If QNsFilter(Y/N) is yes, program will do filter on quantum numbers.

Quantum number label filters

Write the quantum number labels required here. For ExoMol and ExoAtom input, the labels are resolved from the definition metadata files (.def.json, .def, or .adef.json) unless you provide QNslabel and QNsformat as an override. Namespace prefixes are removed, for example Herzberg:n1 is filtered as n1.

For ExoMolHR database, the labels and formats are listed as metadata in program which can be used automatically. For reference only, you can refer to link.

For HITRAN, HITEMP, or custom files without ExoMol metadata, the spelling of the quantum number labels must match the explicit QNslabel values.

When no quantum number filter is used, stick spectra save only the basic output columns. When a quantum number filter is used, only the requested quantum number labels in QNsFilter(Y/N) are stored in the result file.

Quantum number value filters

Write the quantum number values required after each label in [] and seperated by , and ;, don’t leave blank between different values inside the [].
Leave blank between different quantum number labels, don’t write ,.
If you need all values of a quantum number label, write this label and wirte nothing inside the []. Note, don’t write any blank inside [], you should write [], not [ ].
Inside [] use , and ; don’t write any blank inside the []. Outside [], use blank , don’t write any , or ; outside [].
For one quantum number label, write in one [], you can provide the quantum number values for upper and lower states, and seperated by ,.
For one quantum number label, write in one [], you can provide more than one pair of values, and seperated by ;.

Example

v1[] means you want quantum number label v1 and you want all quantum number values of this label v1.
v1[1,0] means you want quantum number label v1 and you want the upper QN = 1 and lower QN = 0. So v1’ = 1 and v1” = 0.
v1[,0] means you want quantum number label v1 and you want all upper QN but the lower QN = 0. So v1’ = 0, 1, 2, 3, 4, … and v1” = 0.
v1[3,] means you want quantum number label v1 and you want all lower QN but the upper QN = 3. So v1’ = 3 and v1” = 0, 1, 2, 3, 4, …
v1[1,1;2,2] means you want quantum number label v1 and you want when v1’ = 1, v1” = 1; when v1’ = 2, v1” = 2.
v1[1,;,0;5,5]  v2[] means you want quantum number labels v1 and v2. For v1, you want all lines with v1’ = 1 , all lines with v1” = 0 and the lines with v1’ = 5 and at the same time v1” = 5. Meanwhile, you want all lines for v2.

  • The definition file .def, .def.json, or .adef.json of ExoMol and ExoAtom database format provides the labels and formats of the quantum numbers for each species for reference.

  • ExoMolHR database provides the quantum number labels and formats table at link.

  • HITRAN2020 supplementary material (link) provides the notation and format for quanta identifications for reference.

Note

You can define the quantum number column name by yourself, but please make sure it has letters without any blanks. e.g. ‘c1’, ‘c2’, ‘v1’, ‘v2’, ‘electronicState’, ‘electronic_state’, ‘1v’, ‘2v’, ‘M/E/C’. Wrong format of the quantum number column nams: ‘1’, ‘2’, ‘electronic state’.

Example

Save all of +/-, all of e/f, and part of v (v’=1 and v”=any + v’=2 and v”=2 + v’=2 and v”=1 + v’=any and v”=0) quantum numbers into the result file.

UncFilter(Y/N)                          y          0.01           # If Y, default value 0.01 cm-1
Threshold(Y/N)                          yes        1e-30          # If Y, default value 1e-30 cm/molecule
QNsFilter(Y/N)                          Y          +/-[]   e/f[]   v[1,;2,2;2,1;,0]

Don’t use uncertainty and threshold filters. Don’t save quantum numbers into the result file.

UncFilter(Y/N)                          N          0.01           # If Y, default value 0.01 cm-1
Threshold(Y/N)                          No         1e-30          # If Y, default value 1e-30 cm/molecule
QNsFilter(Y/N)                          no