x-axis calibration

[georgievgeorgi]

Let's collect some ideas about the x-axis calibrations.
I am playing with some algorithms and would like to have something to compare with.
@lellid, could you please pass these data through your algorithms and tell us the results?

Here is how i calculate peak positions:

import ramanchada2 as rc2
import ramanchada2.misc.constants as rc2const
import numpy as np

spe = rc2.spectrum.from_test_spe(laser_wl=['785'], sample=['Neon'], OP=['03'])
cand = spe.find_peak_multipeak(prominence=spe.y_noise*.2, sharpening=None)
pos, ampl = np.array([[k, v] for k, v in cand.get_pos_ampl_dict().items()]).T

ref_pos, ref_ampl = np.array([[k, v] for k, v in rc2const.neon_rs_785_nist_dict.items()]).T

Full x-axis can be accessed by spe.x.

Here is a full list of reference and experimental peaks:

reference_peak_positions[] = {
        123.48791116,  140.15913593,  149.87670877,  369.17670042,
        421.9893714 ,  437.90280389,  449.14996203,  632.12313454,
        640.61458574,  691.4865251 ,  713.04406358,  786.01620824,
        794.76334491,  802.87423052,  860.48496834,  923.83990429,
        953.09132284,  968.26914647, 1036.38804722, 1072.83353055,
       1099.57437442, 1157.97487687, 1184.42709106, 1202.99389232,
       1218.116176  , 1221.01976324, 1250.55296723, 1338.81957748,
       1350.75095544, 1354.72253337, 1415.64911067, 1444.75213801,
       1459.743653  , 1527.87115619, 1614.11032165, 1725.63764415,
       1808.87234963, 1871.76959122, 1893.67690913, 1958.41586931,
       1972.13092181, 1987.83486181, 1998.95183086, 2002.98866702,
       2017.09372691, 2070.65547155, 2129.59907608, 2167.39320746,
       2198.11597447, 2250.85159377, 2265.27350979, 2297.81680191,
       2393.30774735, 2544.24125537};

experimental_peak_positions[] = {
        133.074,  149.057,  158.739,  167.217,  259.084,  272.917,
        376.512,  409.258,  427.488,  432.363,  447.932,  459.597,
        626.268,  641.765,  651.688,  700.454,  701.759,  795.866,
        812.879,  856.48 ,  869.438,  878.317,  933.657,  963.215,
        978.309, 1014.54 , 1045.46 , 1082.32 , 1098.29 , 1109.73 ,
       1167.6  , 1168.42 , 1184.25 , 1194.24 , 1228.16 , 1231.28 ,
       1260.83 , 1348.75 , 1360.68 , 1364.63 , 1376.13 , 1425.91 ,
       1454.53 , 1469.86 , 1538.33 , 1624.45 , 1787.33 , 1788.78 ,
       1818.46 , 1819.66 , 1882.31 , 1903.85 , 1910.96 , 1968.8  ,
       1997.29 , 1998.39 , 2009.85 , 2012.73 , 2027.3  , 2081.42 ,
       2139.99 , 2149.16 , 2178.4  , 2208.57 , 2260.36 , 2261.6  ,
       2275.05 , 2395.74 , 2402.72 , 2403.85 , 2454.7 };

@vedina and @nicocopez, your insights are very welcome too.

Ideally, i would like to receive a calibrated x-axis, but calibrated experimental positions or even a model will also work, I guess.