Demonstrate Integrate Limits on Experimental Data

Here we load in low SNR Hahn echo data and demonstrate that we can find reasonable and accurate integration limits on this data.

Similar to the demonstration on fake data, we use integrate_limits to detect the frequency limits used for peak integration, and demonstrate, separately, the integration limits using a matched Lorentzian filter and a matched Gaussian filter on our frequency domain data.

We illustrate the position of the frequency limits with vertical lines on the final plots.

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You didn't set units for t2 before saving the data!!!
phasing dimension as one

from pylab import *
from pyspecdata import *
from pyspecProcScripts import *

fl = figlist_var()
rcParams["image.aspect"] = "auto"
# sphinx_gallery_thumbnail_number = 1
for (
    filename,
    expno,
    subplot_name,
) in [
    # ('210604_50mM_4AT_AOT_w11_cap_probe_echo_tau_1000_before_noApod_ex','prealignment','tau1000, before'),
    # ('210604_50mM_4AT_AOT_w11_cap_probe_echo_tau_1000_after_noApod_ex','aligned','tau1000, after'),
    # ('210604_50mM_4AT_AOT_w11_cap_probe_echo_tau_3500_before_noApod_ex','prealignment','tau3500, before'),
    # ('210604_50mM_4AT_AOT_w11_cap_probe_echo_tau_3500_after_noApod_ex','aligned','tau3500, after'),
    # ('210604_50mM_4AT_AOT_w11_cap_probe_echo_tau_11_before_noApod_ex','prealignment','tau11135, before'),
    (
        "210604_50mM_4AT_AOT_w11_cap_probe_echo_tau_11_after_noApod_ex",
        "aligned",
        "tau11135, after",
    ),
]:
    d = find_file(filename, exp_type="ODNP_NMR_comp/processed", expno=expno)
    signal_pathway = {"ph1": 1, "ph2": 0}
    excluded_pathways = [(0, 0), (0, -1)]
    d.ift("t2")
    # Zeroth order correction
    ph0 = select_pathway(d["t2":0], signal_pathway)
    if len(ph0.dimlabels) > 0:
        assert len(ph0.dimlabels) == 1, (
            repr(ndshape(ph0.dimlabels)) + " has too many dimensions"
        )
        ph0 = zeroth_order_ph(ph0)
        print("phasing dimension as one")
    else:
        print(
            "there is only one dimension left -- standard 1D zeroth order phasing"
        )
        ph0 = ph0 / abs(ph0)
    d /= ph0
    fl.basename = expno
    d.ft("t2")
    for method in ["Lorentzian", "Gaussian"]:
        fl.basename = "%s method: " % method
        freq_lim = integrate_limits(
            select_pathway(d, signal_pathway), convolve_method=method, fl=fl
        )
fl.show()