Joint fit: ferrite and austenite, BEER¶
The same staged fit as the Python tutorial, on the command line. The command line fits whatever the project marks free with () after a value, so each stage marks its parameters in the project's files with a text editor and runs edi fit, which writes the fitted values back into the project for the next stage.
Get the project¶
edi download-data pd-neut-tof_ferrite-austenite-beer
python -m edi download-data pd-neut-tof_ferrite-austenite-beer
Start with nothing free¶
The project marks what its finished fit frees. Remove every (), so the stages below free one group at a time.
In experiments/expt_n2.edi, remove the () from every value; they now read:
_instrument.calib_d_to_tof_offset 0
_peak.broad_gauss_sigma_0 900
_peak.broad_gauss_sigma_1 1000
_peak.broad_gauss_sigma_2 300
_peak.broad_lorentz_gamma_0 5
1 40111.8789 0.19
2 41193.5664 0.19The same for every other row (28 more).
In experiments/expt_s2.edi, remove the () from every value; they now read:
_instrument.calib_d_to_tof_offset 0
_peak.broad_gauss_sigma_0 900
_peak.broad_gauss_sigma_1 1000
_peak.broad_gauss_sigma_2 300
_peak.broad_lorentz_gamma_0 5
1 40111.8789 0.18
2 41193.5664 0.18The same for every other row (30 more).
In structures/ferrite.edi, remove the () from every value; they now read:
Fe Fe 0 0 0 a 2 1 0.5 BisoScales and time-of-flight calibration¶
Both phases' scales and each bank's DIFC offset put the peaks in place and at the right height.
In experiments/expt_n2.edi, add () after the values the stage frees:
_instrument.calib_d_to_tof_offset 0()In experiments/expt_s2.edi, add () after the values the stage frees:
_instrument.calib_d_to_tof_offset 0()
ferrite 400() 0.49780285149965137()
austenite 100() 0.5021971485003485()edi fit pd-neut-tof_ferrite-austenite-beer --verbosity full
python -m edi fit pd-neut-tof_ferrite-austenite-beer --verbosity full
edi fit: joint project pd-neut-tof_ferrite-austenite-beer, 2 banks (expt_n2, expt_s2), 5642 pts fitted / 5998 loaded, 4 free
iter time (s) Rwp (%) reduced χ² change
41.44 229.84
1 0.028 23.98 76.98 66.5% ↓
2 0.045 23.84 76.05 1.2% ↓
3 0.062 23.83 76.04
4 0.085 23.83 76.04
done · converged · 4 iters · reduced χ² 76.04 · Rwp 23.83 % · 0.11 s
per-bank Rwp (%): expt_n2 24.49 expt_s2 23.16
refined parameters (4 free):
name parameter start value s.u. change
TOF offset, µs experiments[expt_n2].instrument.calib_d_to_tof_offset 0 -1.94 0.37
TOF offset, µs experiments[expt_s2].instrument.calib_d_to_tof_offset 0 -9.11 0.37
scale experiments[expt_s2].linked_structures[austenite].scale 100 74.47 0.33 25.5% ↓
scale experiments[expt_s2].linked_structures[ferrite].scale 400 301.6 1.6 24.6% ↓
- start the value before the fit
- value the fitted value
- s.u. its standard uncertainty
- change how far the fit moved it, in % of the start: ↑ up, ↓ down
Background¶
Each bank's background points; the last, past the end of the data, stays fixed.
In experiments/expt_n2.edi, add () after the values the stage frees:
1 40111.8789 0.19()
2 41193.5664 0.19()The same for every other row (28 more).
In experiments/expt_s2.edi, add () after the values the stage frees:
1 40111.8789 0.18()
2 41193.5664 0.18()The same for every other row (28 more).
edi fit pd-neut-tof_ferrite-austenite-beer --verbosity full
python -m edi fit pd-neut-tof_ferrite-austenite-beer --verbosity full
edi fit: joint project pd-neut-tof_ferrite-austenite-beer, 2 banks (expt_n2, expt_s2), 5642 pts fitted / 5998 loaded, 64 free
iter time (s) Rwp (%) reduced χ² change
23.83 76.86
1 0.322 18.05 44.10 42.6% ↓
2 0.642 18.05 44.10
done · converged · 2 iters · reduced χ² 44.10 · Rwp 18.05 % · 0.69 s
per-bank Rwp (%): expt_n2 17.91 expt_s2 18.20
refined parameters (64 free):
name parameter start value s.u. change
intensity experiments[expt_n2].background[10].intensity 0.19 0.205 0.029 7.9% ↑
intensity experiments[expt_n2].background[11].intensity 0.19 0.193 0.069 1.6% ↑
intensity experiments[expt_n2].background[12].intensity 0.19 0.213 0.038 12.3% ↑
intensity experiments[expt_n2].background[13].intensity 0.19 0.264 0.034 38.9% ↑
intensity experiments[expt_n2].background[14].intensity 0.19 0.295 0.038 55.5% ↑
intensity experiments[expt_n2].background[15].intensity 0.19 0.334 0.044 75.6% ↑
intensity experiments[expt_n2].background[16].intensity 0.19 0.276 0.030 45.0% ↑
intensity experiments[expt_n2].background[17].intensity 0.19 0.254 0.027 33.5% ↑
intensity experiments[expt_n2].background[18].intensity 0.19 0.234 0.019 23.0% ↑
intensity experiments[expt_n2].background[19].intensity 0.19 0.230 0.018 20.8% ↑
intensity experiments[expt_n2].background[1].intensity 0.19 -0.020 0.015 110.7% ↓
intensity experiments[expt_n2].background[20].intensity 0.19 0.179 0.011 5.9% ↓
intensity experiments[expt_n2].background[21].intensity 0.19 0.233 0.012 22.5% ↑
intensity experiments[expt_n2].background[22].intensity 0.19 0.478 0.040 151.8% ↑
intensity experiments[expt_n2].background[23].intensity 0.19 0.506 0.043 166.3% ↑
intensity experiments[expt_n2].background[24].intensity 0.19 0.346 0.024 81.9% ↑
intensity experiments[expt_n2].background[25].intensity 0.19 0.530 0.029 178.9% ↑
intensity experiments[expt_n2].background[26].intensity 0.19 1.010 0.066 431.4% ↑
intensity experiments[expt_n2].background[27].intensity 0.19 1.277 0.097 572.1% ↑
intensity experiments[expt_n2].background[28].intensity 0.19 1.155 0.089 508.1% ↑
intensity experiments[expt_n2].background[29].intensity 0.19 1.040 0.072 447.4% ↑
intensity experiments[expt_n2].background[2].intensity 0.19 0.13 0.16 33.7% ↓
intensity experiments[expt_n2].background[30].intensity 0.19 0.645 0.033 239.3% ↑
intensity experiments[expt_n2].background[3].intensity 0.19 0.09 0.18 50.8% ↓
intensity experiments[expt_n2].background[4].intensity 0.19 0.181 0.096 4.8% ↓
intensity experiments[expt_n2].background[5].intensity 0.19 0.186 0.076 1.9% ↓
intensity experiments[expt_n2].background[6].intensity 0.19 0.060 0.084 68.3% ↓
intensity experiments[expt_n2].background[7].intensity 0.19 0.147 0.041 22.5% ↓
intensity experiments[expt_n2].background[8].intensity 0.19 0.214 0.036 12.7% ↑
intensity experiments[expt_n2].background[9].intensity 0.19 0.195 0.028 2.6% ↑
TOF offset, µs experiments[expt_n2].instrument.calib_d_to_tof_offset -1.94 -1.95 0.28 0.3% ↓
intensity experiments[expt_s2].background[10].intensity 0.18 0.204 0.029 13.4% ↑
intensity experiments[expt_s2].background[11].intensity 0.18 0.175 0.067 2.6% ↓
intensity experiments[expt_s2].background[12].intensity 0.18 0.217 0.038 20.7% ↑
intensity experiments[expt_s2].background[13].intensity 0.18 0.275 0.034 52.7% ↑
intensity experiments[expt_s2].background[14].intensity 0.18 0.300 0.038 66.5% ↑
intensity experiments[expt_s2].background[15].intensity 0.18 0.322 0.043 78.7% ↑
intensity experiments[expt_s2].background[16].intensity 0.18 0.296 0.032 64.2% ↑
intensity experiments[expt_s2].background[17].intensity 0.18 0.257 0.027 43.0% ↑
intensity experiments[expt_s2].background[18].intensity 0.18 0.229 0.019 27.4% ↑
intensity experiments[expt_s2].background[19].intensity 0.18 0.222 0.017 23.1% ↑
intensity experiments[expt_s2].background[1].intensity 0.18 -0.0024 0.13 101.3% ↓
intensity experiments[expt_s2].background[20].intensity 0.18 0.172 0.011 4.6% ↓
intensity experiments[expt_s2].background[21].intensity 0.18 0.239 0.012 32.5% ↑
intensity experiments[expt_s2].background[22].intensity 0.18 0.486 0.041 170.1% ↑
intensity experiments[expt_s2].background[23].intensity 0.18 0.495 0.043 174.8% ↑
intensity experiments[expt_s2].background[24].intensity 0.18 0.342 0.024 90.0% ↑
intensity experiments[expt_s2].background[25].intensity 0.18 0.534 0.029 196.7% ↑
intensity experiments[expt_s2].background[26].intensity 0.18 1.019 0.066 466.2% ↑
intensity experiments[expt_s2].background[27].intensity 0.18 1.284 0.098 613.4% ↑
intensity experiments[expt_s2].background[28].intensity 0.18 1.219 0.092 577.1% ↑
intensity experiments[expt_s2].background[29].intensity 0.18 0.987 0.069 448.4% ↑
intensity experiments[expt_s2].background[2].intensity 0.18 0.10 0.15 41.7% ↓
intensity experiments[expt_s2].background[30].intensity 0.18 0.652 0.032 262.1% ↑
intensity experiments[expt_s2].background[3].intensity 0.18 0.08 0.17 53.2% ↓
intensity experiments[expt_s2].background[4].intensity 0.18 0.183 0.090 1.6% ↑
intensity experiments[expt_s2].background[5].intensity 0.18 0.158 0.074 12.2% ↓
intensity experiments[expt_s2].background[6].intensity 0.18 0.044 0.076 75.6% ↓
intensity experiments[expt_s2].background[7].intensity 0.18 0.154 0.042 14.7% ↓
intensity experiments[expt_s2].background[8].intensity 0.18 0.208 0.036 15.8% ↑
intensity experiments[expt_s2].background[9].intensity 0.18 0.189 0.027 5.1% ↑
TOF offset, µs experiments[expt_s2].instrument.calib_d_to_tof_offset -9.11 -9.13 0.28 0.2% ↓
scale experiments[expt_s2].linked_structures[austenite].scale 74.47 74.03 0.26 0.6% ↓
scale experiments[expt_s2].linked_structures[ferrite].scale 301.6 300.2 1.3 0.5% ↓
- start the value before the fit
- value the fitted value
- s.u. its standard uncertainty
- change how far the fit moved it, in % of the start: ↑ up, ↓ down
Peak widths¶
Each bank's widths.
In experiments/expt_n2.edi, add () after the values the stage frees:
_peak.broad_gauss_sigma_0 900()
_peak.broad_gauss_sigma_1 1000()
_peak.broad_gauss_sigma_2 300()
_peak.broad_lorentz_gamma_0 5()In experiments/expt_s2.edi, add () after the values the stage frees:
_peak.broad_gauss_sigma_0 900()
_peak.broad_gauss_sigma_1 1000()
_peak.broad_gauss_sigma_2 300()
_peak.broad_lorentz_gamma_0 5()edi fit pd-neut-tof_ferrite-austenite-beer --verbosity full
python -m edi fit pd-neut-tof_ferrite-austenite-beer --verbosity full
edi fit: joint project pd-neut-tof_ferrite-austenite-beer, 2 banks (expt_n2, expt_s2), 5642 pts fitted / 5998 loaded, 72 free
iter time (s) Rwp (%) reduced χ² change
18.05 44.16
1 0.339 16.39 36.39 17.6% ↓
2 0.370 16.38 36.36 0.1% ↓
3 0.709 16.38 36.36
done · converged · 3 iters · reduced χ² 36.36 · Rwp 16.38 % · 0.76 s
per-bank Rwp (%): expt_n2 16.15 expt_s2 16.61
refined parameters (72 free):
name parameter start value s.u. change
intensity experiments[expt_n2].background[10].intensity 0.205 0.207 0.027 1.0% ↑
intensity experiments[expt_n2].background[11].intensity 0.193 0.155 0.063 19.6% ↓
intensity experiments[expt_n2].background[12].intensity 0.213 0.197 0.035 7.4% ↓
intensity experiments[expt_n2].background[13].intensity 0.264 0.248 0.031 6.0% ↓
intensity experiments[expt_n2].background[14].intensity 0.295 0.288 0.034 2.3% ↓
intensity experiments[expt_n2].background[15].intensity 0.334 0.318 0.040 4.9% ↓
intensity experiments[expt_n2].background[16].intensity 0.276 0.275 0.027 0.4% ↓
intensity experiments[expt_n2].background[17].intensity 0.254 0.239 0.025 5.7% ↓
intensity experiments[expt_n2].background[18].intensity 0.234 0.233 0.018 0.4% ↓
intensity experiments[expt_n2].background[19].intensity 0.23 0.221 0.016 3.8% ↓
intensity experiments[expt_n2].background[1].intensity -0.02 -0.022 0.014 11.9% ↓
intensity experiments[expt_n2].background[20].intensity 0.179 0.1739 0.0098 2.9% ↓
intensity experiments[expt_n2].background[21].intensity 0.233 0.236 0.011 1.3% ↑
intensity experiments[expt_n2].background[22].intensity 0.478 0.424 0.038 11.4% ↓
intensity experiments[expt_n2].background[23].intensity 0.506 0.445 0.041 12.1% ↓
intensity experiments[expt_n2].background[24].intensity 0.346 0.347 0.022 0.2% ↑
intensity experiments[expt_n2].background[25].intensity 0.53 0.531 0.027 0.2% ↑
intensity experiments[expt_n2].background[26].intensity 1.01 0.961 0.062 4.8% ↓
intensity experiments[expt_n2].background[27].intensity 1.277 1.195 0.090 6.5% ↓
intensity experiments[expt_n2].background[28].intensity 1.155 1.089 0.082 5.7% ↓
intensity experiments[expt_n2].background[29].intensity 1.04 0.997 0.066 4.2% ↓
intensity experiments[expt_n2].background[2].intensity 0.13 0.13 0.14 2.6% ↓
intensity experiments[expt_n2].background[30].intensity 0.645 0.647 0.030 0.3% ↑
intensity experiments[expt_n2].background[3].intensity 0.09 0.09 0.17 2.1% ↓
intensity experiments[expt_n2].background[4].intensity 0.181 0.179 0.087 1.2% ↓
intensity experiments[expt_n2].background[5].intensity 0.186 0.183 0.069 1.8% ↓
intensity experiments[expt_n2].background[6].intensity 0.06 0.046 0.077 22.6% ↓
intensity experiments[expt_n2].background[7].intensity 0.147 0.147 0.038 0.2% ↑
intensity experiments[expt_n2].background[8].intensity 0.214 0.206 0.033 3.9% ↓
intensity experiments[expt_n2].background[9].intensity 0.195 0.191 0.026 1.8% ↓
TOF offset, µs experiments[expt_n2].instrument.calib_d_to_tof_offset -1.95 -2.17 0.26 11.1% ↓
σ₀², µs² experiments[expt_n2].peak.broad_gauss_sigma_0 900 281 95 68.8% ↓
σ₁², µs²/Ų experiments[expt_n2].peak.broad_gauss_sigma_1 1.00e3 1.860e3 0.110e3 86.0% ↑
σ₂², µs²/Å⁴ experiments[expt_n2].peak.broad_gauss_sigma_2 300 203 24 32.4% ↓
γ₀, µs experiments[expt_n2].peak.broad_lorentz_gamma_0 5 5.86 0.44 17.3% ↑
intensity experiments[expt_s2].background[10].intensity 0.204 0.206 0.026 1.0% ↑
intensity experiments[expt_s2].background[11].intensity 0.175 0.135 0.061 22.6% ↓
intensity experiments[expt_s2].background[12].intensity 0.217 0.201 0.035 7.4% ↓
intensity experiments[expt_s2].background[13].intensity 0.275 0.259 0.031 5.9% ↓
intensity experiments[expt_s2].background[14].intensity 0.3 0.293 0.035 2.4% ↓
intensity experiments[expt_s2].background[15].intensity 0.322 0.304 0.040 5.6% ↓
intensity experiments[expt_s2].background[16].intensity 0.296 0.295 0.029 0.4% ↓
intensity experiments[expt_s2].background[17].intensity 0.257 0.242 0.025 5.9% ↓
intensity experiments[expt_s2].background[18].intensity 0.229 0.229 0.017 0.1% ↓
intensity experiments[expt_s2].background[19].intensity 0.222 0.214 0.016 3.8% ↓
intensity experiments[expt_s2].background[1].intensity -0.0024 -0.0044 0.12 84.1% ↓
intensity experiments[expt_s2].background[20].intensity 0.172 0.1671 0.0095 2.9% ↓
intensity experiments[expt_s2].background[21].intensity 0.239 0.242 0.011 1.1% ↑
intensity experiments[expt_s2].background[22].intensity 0.486 0.432 0.038 11.1% ↓
intensity experiments[expt_s2].background[23].intensity 0.495 0.435 0.040 12.0% ↓
intensity experiments[expt_s2].background[24].intensity 0.342 0.343 0.022 0.3% ↑
intensity experiments[expt_s2].background[25].intensity 0.534 0.535 0.027 0.2% ↑
intensity experiments[expt_s2].background[26].intensity 1.019 0.971 0.062 4.7% ↓
intensity experiments[expt_s2].background[27].intensity 1.284 1.200 0.091 6.6% ↓
intensity experiments[expt_s2].background[28].intensity 1.219 1.152 0.085 5.5% ↓
intensity experiments[expt_s2].background[29].intensity 0.987 0.947 0.063 4.1% ↓
intensity experiments[expt_s2].background[2].intensity 0.1 0.11 0.14 10.8% ↑
intensity experiments[expt_s2].background[30].intensity 0.652 0.654 0.030 0.3% ↑
intensity experiments[expt_s2].background[3].intensity 0.08 0.07 0.15 11.3% ↓
intensity experiments[expt_s2].background[4].intensity 0.183 0.181 0.081 0.8% ↓
intensity experiments[expt_s2].background[5].intensity 0.158 0.153 0.067 2.9% ↓
intensity experiments[expt_s2].background[6].intensity 0.044 0.028 0.070 35.3% ↓
intensity experiments[expt_s2].background[7].intensity 0.154 0.154 0.038 0.1% ↑
intensity experiments[expt_s2].background[8].intensity 0.208 0.199 0.032 4.4% ↓
intensity experiments[expt_s2].background[9].intensity 0.189 0.186 0.025 1.8% ↓
TOF offset, µs experiments[expt_s2].instrument.calib_d_to_tof_offset -9.13 -9.74 0.26 6.7% ↓
scale experiments[expt_s2].linked_structures[austenite].scale 74.03 74.57 0.24 0.7% ↑
scale experiments[expt_s2].linked_structures[ferrite].scale 300.2 303.1 1.2 1.0% ↑
σ₀², µs² experiments[expt_s2].peak.broad_gauss_sigma_0 900 276 94 69.3% ↓
σ₁², µs²/Ų experiments[expt_s2].peak.broad_gauss_sigma_1 1.00e3 1.880e3 0.110e3 87.9% ↑
σ₂², µs²/Å⁴ experiments[expt_s2].peak.broad_gauss_sigma_2 300 192 23 36.1% ↓
γ₀, µs experiments[expt_s2].peak.broad_lorentz_gamma_0 5 5.91 0.44 18.1% ↑
- start the value before the fit
- value the fitted value
- s.u. its standard uncertainty
- change how far the fit moved it, in % of the start: ↑ up, ↓ down
Displacement¶
Last, ferrite's displacement; austenite's follows it.
In structures/ferrite.edi, add () after the values the stage frees:
Fe Fe 0 0 0 a 2 1 0.5() Bisoedi fit pd-neut-tof_ferrite-austenite-beer --verbosity full
python -m edi fit pd-neut-tof_ferrite-austenite-beer --verbosity full
edi fit: joint project pd-neut-tof_ferrite-austenite-beer, 2 banks (expt_n2, expt_s2), 5642 pts fitted / 5998 loaded, 73 free
iter time (s) Rwp (%) reduced χ² change
16.38 36.36
1 0.354 7.73 8.10 77.7% ↓
2 0.398 7.14 6.91 14.7% ↓
3 0.433 7.13 6.89 0.3% ↓
4 0.469 7.13 6.89
5 0.808 7.13 6.89
done · converged · 5 iters · reduced χ² 6.89 · Rwp 7.13 % · 0.86 s
per-bank Rwp (%): expt_n2 7.06 expt_s2 7.20
refined parameters (73 free):
name parameter start value s.u. change
intensity experiments[expt_n2].background[10].intensity 0.207 0.199 0.012 3.7% ↓
intensity experiments[expt_n2].background[11].intensity 0.155 0.248 0.028 59.7% ↑
intensity experiments[expt_n2].background[12].intensity 0.197 0.241 0.015 22.1% ↑
intensity experiments[expt_n2].background[13].intensity 0.248 0.283 0.014 14.0% ↑
intensity experiments[expt_n2].background[14].intensity 0.288 0.304 0.015 5.7% ↑
intensity experiments[expt_n2].background[15].intensity 0.318 0.338 0.018 6.4% ↑
intensity experiments[expt_n2].background[16].intensity 0.275 0.278 0.012 1.1% ↑
intensity experiments[expt_n2].background[17].intensity 0.239 0.255 0.011 6.7% ↑
intensity experiments[expt_n2].background[18].intensity 0.233 0.2372 0.0075 1.8% ↑
intensity experiments[expt_n2].background[19].intensity 0.221 0.2242 0.0069 1.4% ↑
intensity experiments[expt_n2].background[1].intensity -0.022 -0.0185 0.0057 16.1% ↑
intensity experiments[expt_n2].background[20].intensity 0.1739 0.1763 0.0043 1.4% ↑
intensity experiments[expt_n2].background[21].intensity 0.236 0.2348 0.0046 0.5% ↓
intensity experiments[expt_n2].background[22].intensity 0.424 0.427 0.017 0.7% ↑
intensity experiments[expt_n2].background[23].intensity 0.445 0.446 0.018 0.3% ↑
intensity experiments[expt_n2].background[24].intensity 0.347 0.3472 0.0092
intensity experiments[expt_n2].background[25].intensity 0.531 0.532 0.012 0.2% ↑
intensity experiments[expt_n2].background[26].intensity 0.961 0.946 0.028 1.6% ↓
intensity experiments[expt_n2].background[27].intensity 1.195 1.163 0.040 2.7% ↓
intensity experiments[expt_n2].background[28].intensity 1.089 1.060 0.036 2.7% ↓
intensity experiments[expt_n2].background[29].intensity 0.997 0.977 0.029 2.0% ↓
intensity experiments[expt_n2].background[2].intensity 0.13 0.187 0.061 43.6% ↑
intensity experiments[expt_n2].background[30].intensity 0.647 0.648 0.013 0.2% ↑
intensity experiments[expt_n2].background[3].intensity 0.09 0.207 0.071 129.8% ↑
intensity experiments[expt_n2].background[4].intensity 0.179 0.204 0.038 13.9% ↑
intensity experiments[expt_n2].background[5].intensity 0.183 0.215 0.030 17.3% ↑
intensity experiments[expt_n2].background[6].intensity 0.046 0.255 0.034 454.4% ↑
intensity experiments[expt_n2].background[7].intensity 0.147 0.181 0.017 23.2% ↑
intensity experiments[expt_n2].background[8].intensity 0.206 0.225 0.015 9.3% ↑
intensity experiments[expt_n2].background[9].intensity 0.191 0.205 0.011 7.3% ↑
TOF offset, µs experiments[expt_n2].instrument.calib_d_to_tof_offset -2.17 -2.11 0.13 2.9% ↑
σ₀², µs² experiments[expt_n2].peak.broad_gauss_sigma_0 281 914 60 225.4% ↑
σ₁², µs²/Ų experiments[expt_n2].peak.broad_gauss_sigma_1 1.86e3 1.247e3 0.060e3 33.0% ↓
σ₂², µs²/Å⁴ experiments[expt_n2].peak.broad_gauss_sigma_2 203 325 12 60.2% ↑
γ₀, µs experiments[expt_n2].peak.broad_lorentz_gamma_0 5.86 4.98 0.21 15.1% ↓
intensity experiments[expt_s2].background[10].intensity 0.206 0.198 0.012 3.6% ↓
intensity experiments[expt_s2].background[11].intensity 0.135 0.228 0.027 68.7% ↑
intensity experiments[expt_s2].background[12].intensity 0.201 0.245 0.015 21.7% ↑
intensity experiments[expt_s2].background[13].intensity 0.259 0.293 0.014 13.2% ↑
intensity experiments[expt_s2].background[14].intensity 0.293 0.309 0.015 5.3% ↑
intensity experiments[expt_s2].background[15].intensity 0.304 0.326 0.018 7.4% ↑
intensity experiments[expt_s2].background[16].intensity 0.295 0.299 0.013 1.2% ↑
intensity experiments[expt_s2].background[17].intensity 0.242 0.259 0.011 6.9% ↑
intensity experiments[expt_s2].background[18].intensity 0.229 0.2329 0.0074 1.7% ↑
intensity experiments[expt_s2].background[19].intensity 0.214 0.2163 0.0067 1.1% ↑
intensity experiments[expt_s2].background[1].intensity -0.0044 0.017 0.051 489.2% ↑
intensity experiments[expt_s2].background[20].intensity 0.1671 0.1695 0.0042 1.4% ↑
intensity experiments[expt_s2].background[21].intensity 0.242 0.2405 0.0046 0.6% ↓
intensity experiments[expt_s2].background[22].intensity 0.432 0.435 0.017 0.7% ↑
intensity experiments[expt_s2].background[23].intensity 0.435 0.439 0.018 0.9% ↑
intensity experiments[expt_s2].background[24].intensity 0.343 0.3434 0.0092 0.1% ↑
intensity experiments[expt_s2].background[25].intensity 0.535 0.536 0.012 0.2% ↑
intensity experiments[expt_s2].background[26].intensity 0.971 0.956 0.028 1.5% ↓
intensity experiments[expt_s2].background[27].intensity 1.2 1.170 0.041 2.5% ↓
intensity experiments[expt_s2].background[28].intensity 1.152 1.122 0.037 2.6% ↓
intensity experiments[expt_s2].background[29].intensity 0.947 0.930 0.028 1.7% ↓
intensity experiments[expt_s2].background[2].intensity 0.11 0.150 0.059 36.3% ↑
intensity experiments[expt_s2].background[30].intensity 0.654 0.655 0.013 0.2% ↑
intensity experiments[expt_s2].background[3].intensity 0.07 0.185 0.066 164.1% ↑
intensity experiments[expt_s2].background[4].intensity 0.181 0.198 0.036 9.5% ↑
intensity experiments[expt_s2].background[5].intensity 0.153 0.191 0.029 24.6% ↑
intensity experiments[expt_s2].background[6].intensity 0.028 0.215 0.030 668.2% ↑
intensity experiments[expt_s2].background[7].intensity 0.154 0.189 0.017 22.9% ↑
intensity experiments[expt_s2].background[8].intensity 0.199 0.220 0.014 10.6% ↑
intensity experiments[expt_s2].background[9].intensity 0.186 0.200 0.011 7.3% ↑
TOF offset, µs experiments[expt_s2].instrument.calib_d_to_tof_offset -9.74 -10.31 0.13 5.8% ↓
scale experiments[expt_s2].linked_structures[austenite].scale 74.57 95.99 0.20 28.7% ↑
scale experiments[expt_s2].linked_structures[ferrite].scale 303.1 402.38 0.96 32.8% ↑
σ₀², µs² experiments[expt_s2].peak.broad_gauss_sigma_0 276 893 59 223.5% ↑
σ₁², µs²/Ų experiments[expt_s2].peak.broad_gauss_sigma_1 1.88e3 1.286e3 0.059e3 31.6% ↓
σ₂², µs²/Å⁴ experiments[expt_s2].peak.broad_gauss_sigma_2 192 311 12 62.2% ↑
γ₀, µs experiments[expt_s2].peak.broad_lorentz_gamma_0 5.91 4.99 0.21 15.6% ↓
B iso, Ų structures[ferrite].atom_sites[Fe].adp_iso 0.500 1.7153 0.0089 243.1% ↑
- start the value before the fit
- value the fitted value
- s.u. its standard uncertainty
- change how far the fit moved it, in % of the start: ↑ up, ↓ down
Report¶
Write the HTML report of the fitted project and open it in a browser.
The standalone executable has no report; use the Python package.
python -m edi report pd-neut-tof_ferrite-austenite-beer --output pd-neut-tof_ferrite-austenite-beer.html