Sequential magnetic fit: Co₂SiO₄, D20 scan from 2.3 K¶
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-cwl_cosio-d20_scan-213f
python -m edi download-data pd-neut-cwl_cosio-d20_scan-213f
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/d20.edi, remove the () from every value; they now read:
_instrument.calib_twotheta_offset 0.29433
_peak.broad_gauss_u 0.273527
_peak.broad_gauss_v -0.589718
_peak.broad_gauss_w 0.413007
1 6 603.5
2 6.5 585The same for every other row (15 more).
In structures/cosio.edi, remove the () from every value; they now read:
_cell.length_a 10.3081
_cell.length_b 6.00219
_cell.length_c 4.78739
Co1 Co 0 0 0 a 4 1 0.269 Biso
Co2 Co 0.2809 0.25 0.9836 c 4 1 0.269 BisoThe same for every other row (6 more).
Scale, 2θ zero and cell¶
Switch the fitting mode to a single fit, so the stages fit the template alone.
In analysis/analysis.edi, set:
_fitting_mode.type singleIn experiments/d20.edi, add () after the values the stage frees:
_instrument.calib_twotheta_offset 0.29433()
cosio 1.81723() 1.0In structures/cosio.edi, add () after the values the stage frees:
_cell.length_a 10.3081()
_cell.length_b 6.00219()
_cell.length_c 4.78739()edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
python -m edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
edi fit: project pd-neut-cwl_cosio-d20_scan-213f, 1438 pts fitted / 1506 loaded, 5 free
iter time (s) Rwp (%) reduced χ² change
15.23 64.02
1 0.021 14.24 55.94 12.6% ↓
2 0.033 14.22 55.83 0.2% ↓
3 0.042 14.22 55.83
4 0.060 14.22 55.83
done · converged · 4 iters · reduced χ² 55.83 · Rwp 14.22 % · 0.07 s
refined parameters (5 free):
name parameter start value s.u. change
2θ offset, deg experiment.instrument.calib_twotheta_offset 0.2943 0.3803 0.0068 29.2% ↑
scale experiment.linked_structures[cosio].scale 1.8172 1.946 0.021 7.1% ↑
a, Å structure.cell.length_a 10.3081 10.31441 0.00085 0.1% ↑
b, Å structure.cell.length_b 6.0022 6.00580 0.00050 0.1% ↑
c, Å structure.cell.length_c 4.7874 4.79043 0.00039 0.1% ↑
- 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
Background¶
The sixteen background points follow the level between the peaks.
In experiments/d20.edi, add () after the values the stage frees:
1 6 603.5()
2 6.5 585()The same for every other row (14 more).
edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
python -m edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
edi fit: project pd-neut-cwl_cosio-d20_scan-213f, 1438 pts fitted / 1506 loaded, 21 free
iter time (s) Rwp (%) reduced χ² change
14.22 56.46
1 0.040 13.46 50.59 10.4% ↓
2 0.064 13.46 50.59
done · converged · 2 iters · reduced χ² 50.59 · Rwp 13.46 % · 0.08 s
refined parameters (21 free):
name parameter start value s.u. change
intensity experiment.background[10].intensity 373.16 379.4 7.6 1.7% ↑
intensity experiment.background[11].intensity 406.37 417.5 6.7 2.7% ↑
intensity experiment.background[12].intensity 408.51 413.9 6.3 1.3% ↑
intensity experiment.background[13].intensity 396 396.1 6.3
intensity experiment.background[14].intensity 345.92 342.3 6.1 1.0% ↓
intensity experiment.background[15].intensity 279.04 275.5 5.6 1.3% ↓
intensity experiment.background[16].intensity 230.7 224.7 7.6 2.6% ↓
intensity experiment.background[1].intensity 603.5 614 75 1.8% ↑
intensity experiment.background[2].intensity 585 593 47 1.3% ↑
intensity experiment.background[3].intensity 568.5 536 40 5.7% ↓
intensity experiment.background[4].intensity 528.8 636 20 20.3% ↑
intensity experiment.background[5].intensity 418.9 531 19 26.9% ↑
intensity experiment.background[6].intensity 420.2 404 38 3.8% ↓
intensity experiment.background[7].intensity 416.5 419 26 0.5% ↑
intensity experiment.background[8].intensity 416.05 423 12 1.6% ↑
intensity experiment.background[9].intensity 394.77 453 11 14.7% ↑
2θ offset, deg experiment.instrument.calib_twotheta_offset 0.3803 0.3807 0.0065 0.1% ↑
scale experiment.linked_structures[cosio].scale 1.946 1.934 0.023 0.6% ↓
a, Å structure.cell.length_a 10.3144 10.31448 0.00081
b, Å structure.cell.length_b 6.0058 6.00579 0.00048
c, Å structure.cell.length_c 4.7904 4.79045 0.00037
- 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¶
U, V and W only: across a temperature scan the Lorentzian term and the asymmetry stay at their 2.3 K values, as do the form factor's j2 term.
In experiments/d20.edi, add () after the values the stage frees:
_peak.broad_gauss_u 0.273527()
_peak.broad_gauss_v -0.589718()
_peak.broad_gauss_w 0.413007()edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
python -m edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
edi fit: project pd-neut-cwl_cosio-d20_scan-213f, 1438 pts fitted / 1506 loaded, 24 free
iter time (s) Rwp (%) reduced χ² change
13.46 50.70
1 0.029 13.29 49.39 2.6% ↓
2 0.042 13.29 49.35 0.1% ↓
3 0.061 13.28 49.35
done · converged · 3 iters · reduced χ² 49.35 · Rwp 13.28 % · 0.07 s
refined parameters (24 free):
name parameter start value s.u. change
intensity experiment.background[10].intensity 379.4 379.4 7.5
intensity experiment.background[11].intensity 417.5 422.5 6.7 1.2% ↑
intensity experiment.background[12].intensity 413.9 414.3 6.3 0.1% ↑
intensity experiment.background[13].intensity 396.1 395.3 6.3 0.2% ↓
intensity experiment.background[14].intensity 342.3 341.0 6.0 0.4% ↓
intensity experiment.background[15].intensity 275.5 276.3 5.5 0.3% ↑
intensity experiment.background[16].intensity 224.7 225.9 7.5 0.5% ↑
intensity experiment.background[1].intensity 614 614 75
intensity experiment.background[2].intensity 593 593 46 0.1% ↓
intensity experiment.background[3].intensity 536 536 40
intensity experiment.background[4].intensity 636 636 19
intensity experiment.background[5].intensity 531 532 19 0.2% ↑
intensity experiment.background[6].intensity 404 404 38
intensity experiment.background[7].intensity 419 419 25 0.1% ↓
intensity experiment.background[8].intensity 423 423 11 0.1% ↓
intensity experiment.background[9].intensity 453 455 11 0.4% ↑
2θ offset, deg experiment.instrument.calib_twotheta_offset 0.3807 0.3814 0.0060 0.2% ↑
scale experiment.linked_structures[cosio].scale 1.934 1.926 0.024 0.4% ↓
U, deg² experiment.peak.broad_gauss_u 0.27353 0.190 0.019 30.7% ↓
V, deg² experiment.peak.broad_gauss_v -0.58972 -0.349 0.042 40.7% ↑
W, deg² experiment.peak.broad_gauss_w 0.41301 0.272 0.023 34.2% ↓
a, Å structure.cell.length_a 10.3145 10.31424 0.00080
b, Å structure.cell.length_b 6.0058 6.00590 0.00048
c, Å structure.cell.length_c 4.7904 4.79046 0.00037
- 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
Atom positions¶
In structures/cosio.edi, add () after the values the stage frees:
Co2 Co 0.2809() 0.25 0.9836() c 4 1 0.269 Biso
Si Si 0.0933() 0.25 0.4278() c 4 1 0.466 BisoThe same for every other row (3 more).
edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
python -m edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
edi fit: project pd-neut-cwl_cosio-d20_scan-213f, 1438 pts fitted / 1506 loaded, 35 free
iter time (s) Rwp (%) reduced χ² change
13.29 49.74
1 0.028 13.22 49.28 0.9% ↓
2 0.040 13.22 49.27
3 0.065 13.22 49.27
done · converged · 3 iters · reduced χ² 49.27 · Rwp 13.22 % · 0.08 s
refined parameters (35 free):
name parameter start value s.u. change
intensity experiment.background[10].intensity 379.4 379.4 7.6
intensity experiment.background[11].intensity 422.5 422.3 6.7
intensity experiment.background[12].intensity 414.3 413.1 6.4 0.3% ↓
intensity experiment.background[13].intensity 395.3 395.2 6.5
intensity experiment.background[14].intensity 341 339.7 6.2 0.4% ↓
intensity experiment.background[15].intensity 276.3 275.7 5.8 0.2% ↓
intensity experiment.background[16].intensity 225.9 229.3 8.3 1.5% ↑
intensity experiment.background[1].intensity 614 614 74
intensity experiment.background[2].intensity 593 593 46 0.1% ↓
intensity experiment.background[3].intensity 536 536 40 0.1% ↑
intensity experiment.background[4].intensity 636 636 19 0.1% ↓
intensity experiment.background[5].intensity 532 532 19 0.1% ↓
intensity experiment.background[6].intensity 404 404 38
intensity experiment.background[7].intensity 419 419 25
intensity experiment.background[8].intensity 423 422 12 0.3% ↓
intensity experiment.background[9].intensity 455 455 11 0.1% ↑
2θ offset, deg experiment.instrument.calib_twotheta_offset 0.3814 0.3819 0.0061 0.1% ↑
scale experiment.linked_structures[cosio].scale 1.926 1.937 0.025 0.6% ↑
U, deg² experiment.peak.broad_gauss_u 0.19 0.187 0.020 1.4% ↓
V, deg² experiment.peak.broad_gauss_v -0.349 -0.342 0.043 1.9% ↑
W, deg² experiment.peak.broad_gauss_w 0.272 0.268 0.023 1.4% ↓
x structure.atom_sites[Co2].fract_x 0.28090 0.2787 0.0020 0.8% ↓
z structure.atom_sites[Co2].fract_z 0.98360 0.9775 0.0044 0.6% ↓
x structure.atom_sites[O1].fract_x 0.08960 0.08804 0.00086 1.7% ↓
z structure.atom_sites[O1].fract_z 0.77300 0.7770 0.0020 0.5% ↑
x structure.atom_sites[O2].fract_x 0.44780 0.44807 0.00076 0.1% ↑
z structure.atom_sites[O2].fract_z 0.21790 0.2180 0.0021
x structure.atom_sites[O3].fract_x 0.16390 0.16277 0.00066 0.7% ↓
y structure.atom_sites[O3].fract_y 0.03210 0.0318 0.0010 1.1% ↓
z structure.atom_sites[O3].fract_z 0.28050 0.2807 0.0015 0.1% ↑
x structure.atom_sites[Si].fract_x 0.09330 0.0925 0.0012 0.8% ↓
z structure.atom_sites[Si].fract_z 0.42780 0.4283 0.0025 0.1% ↑
a, Å structure.cell.length_a 10.3142 10.31429 0.00080
b, Å structure.cell.length_b 6.0059 6.00592 0.00049
c, Å structure.cell.length_c 4.7905 4.79048 0.00038
- 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
Displacements¶
Co2's displacement follows Co1's by the project's constraint.
In structures/cosio.edi, add () after the values the stage frees:
Co1 Co 0 0 0 a 4 1 0.269() Biso
Si Si 0.0925() 0.25 0.4283() c 4 1 0.466() BisoThe same for every other row (3 more).
edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
python -m edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
edi fit: project pd-neut-cwl_cosio-d20_scan-213f, 1438 pts fitted / 1506 loaded, 40 free
iter time (s) Rwp (%) reduced χ² change
13.22 49.45
1 0.053 13.01 47.86 3.2% ↓
2 0.066 13.00 47.83 0.1% ↓
3 0.101 13.00 47.83
done · converged · 3 iters · reduced χ² 47.83 · Rwp 13.00 % · 0.12 s
refined parameters (40 free):
name parameter start value s.u. change
intensity experiment.background[10].intensity 379.4 373.0 7.6 1.7% ↓
intensity experiment.background[11].intensity 422.3 413.7 6.8 2.0% ↓
intensity experiment.background[12].intensity 413.1 411.5 6.4 0.4% ↓
intensity experiment.background[13].intensity 395.2 400.3 6.4 1.3% ↑
intensity experiment.background[14].intensity 339.7 350.9 6.3 3.3% ↑
intensity experiment.background[15].intensity 275.7 286.8 5.9 4.0% ↑
intensity experiment.background[16].intensity 229.3 250.8 8.7 9.4% ↑
intensity experiment.background[1].intensity 614 614 73
intensity experiment.background[2].intensity 593 592 45 0.1% ↓
intensity experiment.background[3].intensity 536 537 39 0.2% ↑
intensity experiment.background[4].intensity 636 634 19 0.3% ↓
intensity experiment.background[5].intensity 532 530 18 0.4% ↓
intensity experiment.background[6].intensity 404 404 37 0.1% ↑
intensity experiment.background[7].intensity 419 419 25 0.1% ↓
intensity experiment.background[8].intensity 422 422 11 0.1% ↑
intensity experiment.background[9].intensity 455 449 11 1.3% ↓
2θ offset, deg experiment.instrument.calib_twotheta_offset 0.3819 0.3833 0.0059 0.4% ↑
scale experiment.linked_structures[cosio].scale 1.937 2.243 0.055 15.8% ↑
U, deg² experiment.peak.broad_gauss_u 0.187 0.178 0.019 5.0% ↓
V, deg² experiment.peak.broad_gauss_v -0.342 -0.362 0.041 5.8% ↓
W, deg² experiment.peak.broad_gauss_w 0.268 0.291 0.022 8.8% ↑
B iso, Ų structure.atom_sites[Co1].adp_iso 0.269 0.88 0.26 226.8% ↑
x structure.atom_sites[Co2].fract_x 0.27870 0.2796 0.0021 0.3% ↑
z structure.atom_sites[Co2].fract_z 0.97750 0.9764 0.0047 0.1% ↓
B iso, Ų structure.atom_sites[O1].adp_iso 0.778 1.53 0.19 96.8% ↑
x structure.atom_sites[O1].fract_x 0.08804 0.08842 0.00092 0.4% ↑
z structure.atom_sites[O1].fract_z 0.77700 0.7780 0.0021 0.1% ↑
B iso, Ų structure.atom_sites[O2].adp_iso 0.642 1.17 0.19 83.0% ↑
x structure.atom_sites[O2].fract_x 0.44807 0.44871 0.00078 0.1% ↑
z structure.atom_sites[O2].fract_z 0.21800 0.2191 0.0021 0.5% ↑
B iso, Ų structure.atom_sites[O3].adp_iso 0.917 1.61 0.16 75.4% ↑
x structure.atom_sites[O3].fract_x 0.16277 0.16255 0.00070 0.1% ↓
y structure.atom_sites[O3].fract_y 0.03180 0.0322 0.0011 1.1% ↑
z structure.atom_sites[O3].fract_z 0.28070 0.2797 0.0016 0.4% ↓
B iso, Ų structure.atom_sites[Si].adp_iso 0.466 1.24 0.21 165.8% ↑
x structure.atom_sites[Si].fract_x 0.09250 0.0919 0.0013 0.7% ↓
z structure.atom_sites[Si].fract_z 0.42830 0.4255 0.0026 0.7% ↓
a, Å structure.cell.length_a 10.3143 10.31436 0.00080
b, Å structure.cell.length_b 6.0059 6.00596 0.00049
c, Å structure.cell.length_c 4.7905 4.79048 0.00038
- 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
Magnetic moments¶
Last, the moments: Co1 in any direction, Co2 along b.
In structures/cosio.edi, add () after the values the stage frees:
Co1 0() 1() 0() Mx,My,Mz
Co2 0 1() 0 0,My,0edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
python -m edi fit pd-neut-cwl_cosio-d20_scan-213f --verbosity full
edi fit: project pd-neut-cwl_cosio-d20_scan-213f, 1438 pts fitted / 1506 loaded, 44 free
iter time (s) Rwp (%) reduced χ² change
13.00 47.97
1 0.044 10.86 33.47 30.2% ↓
2 0.055 4.94 6.91 79.4% ↓
3 0.066 4.71 6.29 8.9% ↓
4 0.075 4.70 6.25 0.7% ↓
5 0.102 4.69 6.24 0.2% ↓
6 0.122 4.69 6.24
7 0.141 4.69 6.24
8 0.156 4.69 6.24
9 0.172 4.69 6.24
10 0.185 4.69 6.24
11 0.202 4.69 6.24
12 0.215 4.69 6.24
13 0.234 4.69 6.24
14 0.250 4.69 6.24
15 0.266 4.69 6.24
16 0.280 4.69 6.24
17 0.296 4.69 6.24
18 0.310 4.69 6.24
19 0.327 4.69 6.24
20 0.340 4.69 6.24
21 0.353 4.69 6.24
22 0.376 4.69 6.24
23 0.388 4.69 6.24
24 0.418 4.69 6.24
done · converged · 24 iters · reduced χ² 6.24 · Rwp 4.69 % · 0.45 s
refined parameters (44 free):
name parameter start value s.u. change
intensity experiment.background[10].intensity 373 370.6 2.8 0.6% ↓
intensity experiment.background[11].intensity 413.7 405.5 2.5 2.0% ↓
intensity experiment.background[12].intensity 411.5 403.6 2.4 1.9% ↓
intensity experiment.background[13].intensity 400.3 397.2 2.3 0.8% ↓
intensity experiment.background[14].intensity 350.9 343.6 2.3 2.1% ↓
intensity experiment.background[15].intensity 286.8 279.3 2.2 2.6% ↓
intensity experiment.background[16].intensity 250.8 234.9 3.3 6.3% ↓
intensity experiment.background[1].intensity 614 620 27 0.9% ↑
intensity experiment.background[2].intensity 592 584 17 1.4% ↓
intensity experiment.background[3].intensity 537 566 15 5.4% ↑
intensity experiment.background[4].intensity 634 532.3 7.0 16.0% ↓
intensity experiment.background[5].intensity 530 425.7 6.7 19.7% ↓
intensity experiment.background[6].intensity 404 425 14 5.3% ↑
intensity experiment.background[7].intensity 419 420.3 8.9 0.3% ↑
intensity experiment.background[8].intensity 422 411.0 4.0 2.6% ↓
intensity experiment.background[9].intensity 449 382.5 3.9 14.8% ↓
2θ offset, deg experiment.instrument.calib_twotheta_offset 0.3833 0.3875 0.0019 1.1% ↑
scale experiment.linked_structures[cosio].scale 2.243 1.781 0.019 20.6% ↓
U, deg² experiment.peak.broad_gauss_u 0.178 0.1997 0.0064 12.2% ↑
V, deg² experiment.peak.broad_gauss_v -0.362 -0.403 0.014 11.5% ↓
W, deg² experiment.peak.broad_gauss_w 0.291 0.3077 0.0067 5.7% ↑
Mx, μB structure.atom_site_moment[Co1].crystalaxis_x 0.0000 1.010 0.038
My, μB structure.atom_site_moment[Co1].crystalaxis_y 1.0000 3.011 0.024 201.1% ↑
Mz, μB structure.atom_site_moment[Co1].crystalaxis_z 0.0000 0.02 0.82
My, μB structure.atom_site_moment[Co2].crystalaxis_y 1.0000 2.598 0.037 159.8% ↑
B iso, Ų structure.atom_sites[Co1].adp_iso 0.880 0.352 0.088 60.1% ↓
x structure.atom_sites[Co2].fract_x 0.27960 0.27736 0.00060 0.8% ↓
z structure.atom_sites[Co2].fract_z 0.97640 0.9825 0.0018 0.6% ↑
B iso, Ų structure.atom_sites[O1].adp_iso 1.530 0.802 0.069 47.6% ↓
x structure.atom_sites[O1].fract_x 0.08842 0.09044 0.00036 2.3% ↑
z structure.atom_sites[O1].fract_z 0.77800 0.77150 0.00079 0.8% ↓
B iso, Ų structure.atom_sites[O2].adp_iso 1.170 0.674 0.071 42.4% ↓
x structure.atom_sites[O2].fract_x 0.44871 0.44831 0.00031 0.1% ↓
z structure.atom_sites[O2].fract_z 0.21910 0.21509 0.00082 1.8% ↓
B iso, Ų structure.atom_sites[O3].adp_iso 1.610 1.012 0.058 37.2% ↓
x structure.atom_sites[O3].fract_x 0.16255 0.16343 0.00028 0.5% ↑
y structure.atom_sites[O3].fract_y 0.03220 0.03186 0.00040 1.0% ↓
z structure.atom_sites[O3].fract_z 0.27970 0.27937 0.00061 0.1% ↓
B iso, Ų structure.atom_sites[Si].adp_iso 1.240 0.571 0.076 54.0% ↓
x structure.atom_sites[Si].fract_x 0.09190 0.09441 0.00047 2.7% ↑
z structure.atom_sites[Si].fract_z 0.42550 0.4287 0.0011 0.8% ↑
a, Å structure.cell.length_a 10.3144 10.31488 0.00028
b, Å structure.cell.length_b 6.0060 6.00600 0.00017
c, Å structure.cell.length_c 4.7905 4.79073 0.00013
- 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
Fit the scan¶
Back to the sequential mode: every pattern is fitted in turn, each from the fit before it.
In analysis/analysis.edi, set:
_fitting_mode.type sequentialedi fit pd-neut-cwl_cosio-d20_scan-213f
python -m edi fit pd-neut-cwl_cosio-d20_scan-213f
[░░░░░░░░░░░░░░] · 1/213 · 0% · elapsed 0s · eta 34s · 1 ok · 0 fail · 01_213_002p3440 · reduced χ² 6.24
[░░░░░░░░░░░░░░] · 2/213 · 1% · elapsed 0s · eta 30s · 2 ok · 0 fail · 01_212_002p3560 · reduced χ² 5.95
[░░░░░░░░░░░░░░] · 3/213 · 1% · elapsed 0s · eta 32s · 3 ok · 0 fail · 01_211_002p3630 · reduced χ² 6.25
[░░░░░░░░░░░░░░] · 4/213 · 2% · elapsed 1s · eta 41s · 4 ok · 0 fail · 01_210_002p3820 · reduced χ² 6.08
[░░░░░░░░░░░░░░] · 5/213 · 2% · elapsed 1s · eta 39s · 5 ok · 0 fail · 01_209_002p4210 · reduced χ² 6.06
[░░░░░░░░░░░░░░] · 6/213 · 3% · elapsed 1s · eta 39s · 6 ok · 0 fail · 01_208_008p5330 · reduced χ² 5.99
…
[██████████████] · 209/213 · 98% · elapsed 38s · eta 1s · 209 ok · 0 fail · 01_005_496p5900 · reduced χ² 5.23
[██████████████] · 210/213 · 99% · elapsed 38s · eta 1s · 210 ok · 0 fail · 01_004_497p0360 · reduced χ² 5.20
[██████████████] · 211/213 · 99% · elapsed 38s · eta 0s · 211 ok · 0 fail · 01_003_497p2280 · reduced χ² 5.52
[██████████████] · 212/213 · 100% · elapsed 38s · eta 0s · 212 ok · 0 fail · 01_002_497p3410 · reduced χ² 5.50
[██████████████] · 213/213 · 100% · elapsed 39s · 213 ok · 0 fail
scan · 213 files · 213 converged · 0 failed · reduced χ² 4.32-6.25 · 39s
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-cwl_cosio-d20_scan-213f --output pd-neut-cwl_cosio-d20_scan-213f.html