iangie
第5楼2022/12/03
r_exp 4.14404664 r_exp_dash 1.75991614 r_wp 8.60672648 r_wp_dash 3.65515116 r_p 6.37286964 r_p_dash 3.09027814 weighted_Durbin_Watson 0.548778559 gof 2.07688939
iters 100000
do_errors
xdd 1-1.raw
r_exp 4.14404664 r_exp_dash 1.75991614 r_wp 8.60672648 r_wp_dash 3.65515116 r_p 6.37286964 r_p_dash 3.09027814 weighted_Durbin_Watson 0.548778559 gof 2.07688939
bkg @ -683.584758`_38.9758416 605.84934`_38.6802302 -203.322481`_18.7864637 42.9786603`_9.07377535 6.77232253`_3.97296447 -4.47116675`_1.79518846
LP_Factor( 0)
One_on_X(@, 29871.17266`_1184.98961)
Zero_Error(@, 0.03024`_0.00051)
Rp 280
Rs 280
lpsd_th2_angular_range_degrees 2.94
lpsd_equitorial_divergence_degrees 0.5
lpsd_equitorial_sample_length_mm 14
lpsd_beam_spill_correct_intensity 0
axial_conv
filament_length 12
sample_length 15
receiving_slit_length 12
primary_soller_angle 4
secondary_soller_angle 2.5
axial_n_beta 30
Absorption(@, 53.65772`_3.58815)
lam
ymin_on_ymax 0.0001
la 0.0159 lo 1.534753 lh 3.6854
la 0.5691 lo 1.540596 lh 0.437
la 0.0762 lo 1.541058 lh 0.6
la 0.2517 lo 1.54441 lh 0.52
la 0.0871 lo 1.544721 lh 0.62
out "lattice_parameters.txt" append
Out_String("File:") Out(Get(xdd_path_name),"\t %s")
str
LVol_FWHM_CS_G_L( 1, 91.78730`_0.82417, 0.89, 128.31945`_1.15220,,,@, 144.17915`_1.29460)
r_bragg 3.73537057
phase_MAC 126.163023
phase_name "LiFePO4"
MVW( 631.029, 290.702`_0.008, 100.000`_0.000)
scale @ 0.00271447904`_5.817e-006
space_group Pmnb
Phase_LAC_1_on_cm( 454.76058`_0.01286)
Phase_Density_g_on_cm3( 3.60455`_0.00010)
a @ 6.003048`_0.000094
b @ 10.321846`_0.000166
c @ 4.691579`_0.000081
site Li1 num_posns 4 x =0; : 0.00000 y =0; : 0.00000 z =0; : 0.00000 occ Li+1 1 beq 1
site Fe1 num_posns 4 x =1/4; : 0.25000 y 0.2820276663 z 0.975052084 occ Fe+2 1 beq 1
site P1 num_posns 4 x =1/4; : 0.25000 y 0.09528255988 z 0.4184860854 occ P 1 beq 1
site O1 num_posns 4 x =1/4; : 0.25000 y 0.09809234374 z 0.7453310441 occ O-2 1 beq 1
site O2 num_posns 4 x =1/4; : 0.25000 y 0.4553124243 z 0.217406198 occ O-2 1 beq 1
site O3 num_posns 8 x 0.04188544985 y 0.1685402067 z 0.2818787818 occ O-2 1 beq 1
Out(Get(phase_name),"\t %s")
Out_String("\ta:")
Out(Get(a), "\t %6.4f")
Out_String("\tb:")
Out(Get(b), "\t %6.4f")
Out_String("\tc:")
Out(Get(c), "\t %6.4f")
Out_String("\tvol:")
Out(Get(cell_volume), "\t %6.4f")