from molass import get_version
assert get_version() >= '0.6.1', "This tutorial requires molass version 0.6.1 or higher."
from molass.DataObjects import SecSaxsData as SSD
from molass_data import SAMPLE2
ssd2 = SSD(SAMPLE2)
trimmed_ssd2 = ssd2.trimmed_copy()
corrected_ssd2 = trimmed_ssd2.corrected_copy()decomposition23 = corrected_ssd2.quick_decomposition(num_components=3)
plot4 = decomposition23.plot_components(title="Decomposition of Sample2 (num_components=3)")
decomposition23n = corrected_ssd2.quick_decomposition(num_components=3, num_plates=14400, debug=True) # 14400 = 48000 * 30cm/100cm
plot5 = decomposition23n.plot_components(title="Decomposition of Sample2 (num_components=3, num_plates=14400)") Step 1: mu=433.2, H=0.07322, sigma=18.0, tau=4.8
Step 2: mu=377.4, H=0.00667, sigma=17.4, tau=0.0
Step 3: mu=490.1, H=0.00501, sigma=20.6, tau=2.9
N=120.0, main_peak=1, main_params=[np.float64(0.07321916927484684), np.float64(433.2071426680015), np.float64(17.978693171129816), np.float64(4.758648995825167)]
Step 1: mu=433.4, H=0.09193, sigma=18.8, tau=7.0
Step 2: mu=378.0, H=0.00791, sigma=19.1, tau=0.0
Step 3: mu=499.0, H=0.00785, sigma=22.6, tau=3.5
N=120.0, main_peak=1, main_params=[np.float64(0.09193318508657712), np.float64(433.3967589231873), np.float64(18.827608530042795), np.float64(7.005680296735878)]
consistent_uv= True
adjust_components_consistently entry: mapping= MappingInfo(slope=1.07, intercept=-28.7, xr_peaks=..., uv_peaks=..., xr_moment=..., uv_moment=...)
