All supplementary files are ascii files. They are standard input files 
(*.lin and *. par) or standard outputfiles (*.fit) of Herb Pickett's 
SPFIT program.

File names refer to the individual data sets as detailed in the manuscript. 


-- Line file

The quantum numbers are J, Ka, Kc (and "v") for upper and lower state. 
"v" is a state number (not applicable to H2C2S files), the states are numbered according to their energy: 
0 is the ground state
1 is v4 = 1
2 is v6 = 1
3 is v3 = 1
4 is v2 = 1

Frequencies and uncertainties are given next in units of megahertz 
unless uncertainty is negative, in this case frquency and uncertainty are in units of wavenumbers; 
sometimes followed by relative weights for blends of these are different from each other;
since spin-statistics do not change the picture for fully collapsed asymmetry splitting, 
the different weights were omitted for such cases.

Reference codes are given after the slash (first author plus et al. and year or two authors plus year); 
OSU or Koeln indicates the present data.



-- Parameter file

The first line is the title line

The second line describes the data set: 
number of requested parameters and lines, two special numbers, 
the sigma value for rejecting lines, and two more special numbers.

The third and following similarly looking lines are option lines.
The third line defines the default, all others deviations. 
A code for decoding the parameters automatically is given first 
(but usually not needed); 
followed by one for spin-multiplicity and type of quanta (here asymmetric rotor quanta), 
minimum and maximum K, neglect of interaction (0 means none), 
three codes for spin statistics, 
the next codes are not relevant in the present cases

Parameter codes are given next in each line, followed by the value, 
and the variability (small number means fixed, large number means floated).
The meaning of the parameter follows after the slash.

For further details see, e.g., https://cdms.astro.uni-koeln.de/classic/pickett


-- Fit file

The input parameter file is given first,
followed by the infornation on the states, and some information on the Hamiltonian.
Next is the Maximum Dimension for Hamiltonian.
The experimental lines follow with
Quantum numbers, observed and calculated frequencies, residuals, uncertainties,
calculated uncertainties if more than 1 iteration was performed, 
in the case of blended lines followed by the calculated frequency of the blend, 
residuals and the "relative intensity" of the lines.
NORMALIZED DIAGONAL is given next, followed by
MARQUARDT PARAMETER = 0, TRUST EXPANSION = 1.00 if all went well.

Parameter codes, their meaning, value and uncertainty and the change 
of the value in this iteration (all in MHz) follow.

Numbers on the quality of the fit follow, 
and finally the correlation coefficients.