[2eaae42] | 1 | r""" |
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[9d76d29] | 2 | |
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| 3 | Definition |
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| 4 | ---------- |
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| 5 | |
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[4c8f9cd] | 6 | This model describes a Gaussian shaped peak on a flat background |
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[2eaae42] | 7 | |
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[9d76d29] | 8 | .. math:: |
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| 9 | |
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| 10 | I(q) = (\text{scale}) \exp\left[ -\tfrac12 (q-q_0)^2 / \sigma^2 \right] |
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| 11 | + \text{background} |
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| 12 | |
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| 13 | with the peak having height of *scale* centered at $q_0$ and having a standard |
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| 14 | deviation of $\sigma$. The FWHM (full-width half-maximum) is $2.354 \sigma$. |
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| 15 | |
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| 16 | For 2D data, scattering intensity is calculated in the same way as 1D, |
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| 17 | where the $q$ vector is defined as |
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[2eaae42] | 18 | |
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[9d76d29] | 19 | .. math:: |
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[2eaae42] | 20 | |
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[9d76d29] | 21 | q = \sqrt{q_x^2 + q_y^2} |
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[2eaae42] | 22 | |
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| 23 | |
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[eb69cce] | 24 | References |
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| 25 | ---------- |
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[2eaae42] | 26 | |
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[4c8f9cd] | 27 | None. |
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[2eaae42] | 28 | """ |
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| 29 | |
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[3c56da87] | 30 | from numpy import inf |
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[2eaae42] | 31 | |
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[4c8f9cd] | 32 | name = "gaussian_peak" |
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| 33 | title = "Gaussian shaped peak" |
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| 34 | description = """ |
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| 35 | Model describes a Gaussian shaped peak including a flat background |
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[9d76d29] | 36 | Provide F(q) = scale*exp( -1/2 *[(q-q0)/sigma]^2 )+ background |
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[2eaae42] | 37 | """ |
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[a5d0d00] | 38 | category = "shape-independent" |
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[2eaae42] | 39 | |
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[13ed84c] | 40 | single = False |
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[3e428ec] | 41 | # ["name", "units", default, [lower, upper], "type","description"], |
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| 42 | parameters = [["q0", "1/Ang", 0.05, [-inf, inf], "", "Peak position"], |
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[9d76d29] | 43 | ["sigma", "1/Ang", 0.005, [0, inf], "", |
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[3e428ec] | 44 | "Peak width (standard deviation)"], |
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| 45 | ] |
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[2eaae42] | 46 | |
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| 47 | # No volume normalization despite having a volume parameter |
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| 48 | # This should perhaps be volume normalized? |
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| 49 | form_volume = """ |
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[6ea6902] | 50 | return 1.0; |
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[2eaae42] | 51 | """ |
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| 52 | |
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| 53 | Iq = """ |
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[677ccf1] | 54 | double scaled_dq = (q - q0)/sigma; |
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| 55 | return exp(-0.5*scaled_dq*scaled_dq); //sqrt(2*M_PI*sigma*sigma); |
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[2eaae42] | 56 | """ |
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| 57 | |
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| 58 | |
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| 59 | Iqxy = """ |
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| 60 | // never called since no orientation or magnetic parameters. |
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| 61 | //return -1.0; |
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[4c8f9cd] | 62 | return Iq(sqrt(qx*qx + qy*qy), q0, sigma); |
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[2eaae42] | 63 | """ |
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| 64 | |
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| 65 | |
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| 66 | # VR defaults to 1.0 |
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| 67 | |
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[3e428ec] | 68 | demo = dict(scale=1, background=0, q0=0.05, sigma=0.005) |
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