--- NEW ITERATION ---
Iteration started at	8/30/22 9:55:08 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10007.6*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4	5
Iy	477709.5*	406203.4*	175335.6*	145146.1*	220391.1*
delta(iso)	13.094*	11.908*	10.955*	9.596*	13.796*
delta(CSA)	16.84*	-42.7*	13.16*	21.65*	44.2*
eta(CSA)	0.013*	0.301*	0.389*	-0.32*	0.038*
delta(11)	29.93	39.67	24.11	31.25	57.99
delta(22)	4.79	26.84	6.93	2.23	-7.46
delta(33)	4.56	-30.79	1.82	-4.69	-9.14
omega	25.37	70.46	22.3	35.94	67.14
kappa	-0.98	0.64	-0.54	-0.61	-0.95
LB	230*	300*	200*	231.8505*	164.9586*
GB	150*	130*	50*	40.5419*	72.2258*
Integral	22260826.4	23779866.45	6048820.52	5749804.72	7131303.29


SIMPLEX Optimization Started
Starting Overlap(%)	95.6066620671011


Iteration Stopped in Cycle# 74
Overlap(%)	96.24347329926252
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 9:55:16 AM

SITES	1	2	3	4	5
Iy	467955*	397154.4*	171163.2*	136589.4*	222805.1*
delta(iso)	13.118*	11.886*	11.016*	9.714*	13.806*
delta(CSA)	17.28*	-42.67*	13.37*	22.27*	45.41*
eta(CSA)	0.014*	0.305*	0.398*	-0.328*	0.039*
delta(11)	30.39	39.73	24.39	31.98	59.21
delta(22)	4.6	26.72	6.99	2.23	-8.02
delta(33)	4.36	-30.79	1.67	-5.07	-9.78
omega	26.03	70.51	22.71	37.05	68.99
kappa	-0.98	0.63	-0.53	-0.61	-0.95
LB	226.3139*	289.6978*	196.9301*	225.2583*	161.7516*
GB	161.9926*	128.5042*	50.4675*	40.8198*	72.3243*
Integral	21516841.78	22854451.89	6001241.49	5303016.37	7177468.53


Best Overlap(%)	96.24347329926252
--- NEW ITERATION ---
Iteration started at	8/30/22 9:55:20 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10058.1*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4	5
Iy	467955*	397154.4*	171163.2*	136589.4*	222805.1*
delta(iso)	13.118*	11.886*	11.016*	9.714*	13.806*
delta(CSA)	17.28*	-42.67*	13.37*	22.27*	45.41*
eta(CSA)	0.014*	0.305*	0.398*	-0.328*	0.039*
delta(11)	30.39	39.73	24.39	31.98	59.21
delta(22)	4.6	26.72	6.99	2.23	-8.02
delta(33)	4.36	-30.79	1.67	-5.07	-9.78
omega	26.03	70.51	22.71	37.05	68.99
kappa	-0.98	0.63	-0.53	-0.61	-0.95
LB	226.3139*	289.6978*	196.9301*	225.2583*	161.7516*
GB	161.9926*	128.5042*	50.4675*	40.8198*	72.3243*
Integral	21516841.78	22854451.89	6001241.49	5303016.37	7177468.53


SIMPLEX Optimization Started
Starting Overlap(%)	96.3224522465909


Iteration Stopped in Cycle# 31
Overlap(%)	96.3224522465909
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 9:55:24 AM

SITES	1	2	3	4	5
Iy	467955*	397154.4*	171163.2*	136589.4*	222805.1*
delta(iso)	13.118*	11.886*	11.016*	9.714*	13.806*
delta(CSA)	17.28*	-42.67*	13.37*	22.27*	45.41*
eta(CSA)	0.014*	0.305*	0.398*	-0.328*	0.039*
delta(11)	30.39	39.73	24.39	31.98	59.21
delta(22)	4.6	26.72	6.99	2.23	-8.02
delta(33)	4.36	-30.79	1.67	-5.07	-9.78
omega	26.03	70.51	22.71	37.05	68.99
kappa	-0.98	0.63	-0.53	-0.61	-0.95
LB	226.3139*	289.6978*	196.9301*	225.2583*	177.9267*
GB	161.9926*	128.5042*	50.4675*	40.8198*	72.3243*
Integral	22137476	23187231.75	5863175.72	5303069.42	7165139.54


Best Overlap(%)	96.3224522465909
--- NEW ITERATION ---
Iteration started at	8/30/22 9:55:33 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10058.1*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4	5
Iy	467955*	397154.4*	171163.2*	136589.4*	222805.1*
delta(iso)	13.118*	11.886*	11.016*	9.714*	13.806*
delta(CSA)	17.28*	-42.67*	13.37*	22.27*	45.41*
eta(CSA)	0.014*	0.305*	0.398*	-0.328*	0.039*
delta(11)	30.39	39.73	24.39	31.98	59.21
delta(22)	4.6	26.72	6.99	2.23	-8.02
delta(33)	4.36	-30.79	1.67	-5.07	-9.78
omega	26.03	70.51	22.71	37.05	68.99
kappa	-0.98	0.63	-0.53	-0.61	-0.95
LB	226.3139*	289.6978*	196.9301*	225.2583*	177.9267*
GB	161.9926*	128.5042*	50.4675*	40.8198*	72.3243*
Integral	22137476	23187231.75	5863175.72	5303069.42	7165139.54


SIMPLEX Optimization Started
Starting Overlap(%)	96.33308733291692


Iteration Stopped in Cycle# 169
Overlap(%)	96.48394144420531
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 9:55:52 AM

SITES	1	2	3	4	5
Iy	473142.3*	393946.8*	169414.7*	137055.5*	229049.3*
delta(iso)	13.098*	11.865*	11.051*	9.734*	13.797*
delta(CSA)	17.25*	-43.71*	13.45*	21.21*	45.73*
eta(CSA)	0.014*	0.304*	0.405*	-0.329*	0.034*
delta(11)	30.35	40.36	24.5	30.94	59.53
delta(22)	4.59	27.07	7.05	2.62	-8.29
delta(33)	4.36	-31.84	1.6	-4.36	-9.85
omega	25.99	72.21	22.89	35.3	69.38
kappa	-0.98	0.63	-0.52	-0.6	-0.95
LB	214.9009*	290.7804*	201.96*	236.9697*	176.945*
GB	158.2483*	127.3371*	51.7879*	38.004*	88.3625*
Integral	21343157.39	22390761.43	5944889.17	5588225.02	8209460.61


Best Overlap(%)	96.48394144420531
--- NEW ITERATION ---
Iteration started at	8/30/22 11:15:30 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10033.9*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4
Iy	473142.3*	393946.8*	169414.7*	137055.5*
delta(iso)	13.098*	11.865*	11.051*	9.734*
delta(CSA)	17.25*	-43.71*	13.45*	21.21*
eta(CSA)	0.014*	0.304*	0.405*	-0.329*
delta(11)	30.35	40.36	24.5	30.94
delta(22)	4.59	27.07	7.05	2.62
delta(33)	4.36	-31.84	1.6	-4.36
omega	25.99	72.21	22.89	35.3
kappa	-0.98	0.63	-0.52	-0.6
LB	214.9009*	290.7804*	201.96*	236.9697*
GB	158.2483*	127.3371*	51.7879*	38.004*
Integral	21381980.77	22457902.19	5914814.3	5527316.76


SIMPLEX Optimization Started
Starting Overlap(%)	92.76965566598344


Iteration Stopped in Cycle# 423
Overlap(%)	96.28703898582754
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 11:16:05 AM

SITES	1	2	3	4
Iy	580109.6*	424013.5*	202037.9*	128970.6*
delta(iso)	13.416*	12.004*	11.088*	9.77*
delta(CSA)	16.42*	-42.82*	13.2*	21.78*
eta(CSA)	0.013*	0.311*	0.307*	-0.319*
delta(11)	29.84	40.06	24.29	31.55
delta(22)	5.32	26.76	6.51	2.35
delta(33)	5.09	-30.81	2.46	-4.59
omega	24.74	70.88	21.83	36.14
kappa	-0.98	0.62	-0.63	-0.62
LB	197.7779*	294.0625*	223.4211*	235.7636*
GB	178.2434*	124.2344*	42.8443*	36.6983*
Integral	25908705.85	24608290.46	6932238.06	5238670.38


Best Overlap(%)	96.28703898582754
--- NEW ITERATION ---
Iteration started at	8/30/22 11:16:10 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10002.6*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4
Iy	580109.6*	424013.5*	202037.9*	128970.6*
delta(iso)	13.416*	12.004*	11.088*	9.77*
delta(CSA)	16.42*	-42.82*	13.2*	21.78*
eta(CSA)	0.013*	0.311*	0.307*	-0.319*
delta(11)	29.84	40.06	24.29	31.55
delta(22)	5.32	26.76	6.51	2.35
delta(33)	5.09	-30.81	2.46	-4.59
omega	24.74	70.88	21.83	36.14
kappa	-0.98	0.62	-0.63	-0.62
LB	197.7779*	294.0625*	223.4211*	235.7636*
GB	178.2434*	124.2344*	42.8443*	36.6983*
Integral	25908705.85	24608290.46	6932238.06	5238670.38


SIMPLEX Optimization Started
Starting Overlap(%)	96.29972867551209


Iteration Stopped in Cycle# 377
Overlap(%)	96.55720082914823
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 11:16:48 AM

SITES	1	2	3	4
Iy	595241.9*	428276.4*	199299.8*	125878.5*
delta(iso)	13.396*	12.005*	11.11*	9.736*
delta(CSA)	18.29*	-45.29*	12.29*	24.76*
eta(CSA)	0.013*	0.2*	0.325*	-0.329*
delta(11)	31.68	39.18	23.4	34.49
delta(22)	4.37	30.12	6.96	1.44
delta(33)	4.13	-33.28	2.97	-6.72
omega	27.55	72.46	20.43	41.21
kappa	-0.98	0.75	-0.61	-0.6
LB	181.8935*	288.7834*	239.1847*	245.493*
GB	180.6469*	124.0239*	49.4492*	38.8451*
Integral	25464238.13	24263841.19	8113760.34	5286769.43


Best Overlap(%)	96.55720082914823
--- NEW ITERATION ---
Iteration started at	8/30/22 11:16:55 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10038.0*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4
Iy	595241.9*	428276.4*	199299.8*	125878.5*
delta(iso)	13.396*	12.005*	11.11*	9.736*
delta(CSA)	18.29*	-45.29*	12.29*	24.76*
eta(CSA)	0.013*	0.2*	0.325*	-0.329*
delta(11)	31.68	39.18	23.4	34.49
delta(22)	4.37	30.12	6.96	1.44
delta(33)	4.13	-33.28	2.97	-6.72
omega	27.55	72.46	20.43	41.21
kappa	-0.98	0.75	-0.61	-0.6
LB	181.8935*	288.7834*	239.1847*	245.493*
GB	180.6469*	124.0239*	49.4492*	38.8451*
Integral	25464238.13	24263841.19	8113760.34	5286769.43


SIMPLEX Optimization Started
Starting Overlap(%)	96.5678549591294


Iteration Stopped in Cycle# 79
Overlap(%)	96.56836785733992
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 11:17:06 AM

SITES	1	2	3	4
Iy	595083.3*	428234.5*	199236.7*	126063.8*
delta(iso)	13.396*	12.004*	11.109*	9.736*
delta(CSA)	19.69*	-45.36*	12.31*	24.8*
eta(CSA)	0.013*	0.2*	0.326*	-0.33*
delta(11)	33.09	39.23	23.42	34.54
delta(22)	3.68	30.14	6.96	1.43
delta(33)	3.42	-33.35	2.95	-6.76
omega	29.67	72.58	20.47	41.3
kappa	-0.98	0.75	-0.61	-0.6
LB	181.9133*	288.7872*	239.2839*	245.8235*
GB	180.7085*	124.2095*	49.5395*	38.916*
Integral	25512442.78	24254894.64	8114558.56	5287265.38


Best Overlap(%)	96.56836785733992
--- NEW ITERATION ---
Iteration started at	8/30/22 11:19:39 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10046.6*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4
Iy	595083.3*	428234.5*	199236.7*	126063.8*
delta(iso)	13.396*	12.004*	11.109*	9.736*
delta(CSA)	19.69*	-45.36*	12.31*	24.8*
eta(CSA)	0.013*	0.2*	0.326*	-0.33*
delta(11)	33.09	39.23	23.42	34.54
delta(22)	3.68	30.14	6.96	1.43
delta(33)	3.42	-33.35	2.95	-6.76
omega	29.67	72.58	20.47	41.3
kappa	-0.98	0.75	-0.61	-0.6
LB	181.9133*	288.7872*	239.2839*	245.8235*
GB	180.7085*	124.2095*	49.5395*	38.916*
Integral	25512442.78	24254894.64	8114558.56	5287265.38


SIMPLEX Optimization Started
Starting Overlap(%)	96.57506877186549


Iteration Stopped in Cycle# 322
Overlap(%)	96.67275152375527
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 11:20:08 AM

SITES	1	2	3	4
Iy	591669*	415944.4*	207227.6*	123352.2*
delta(iso)	13.409*	12.007*	11.1*	9.733*
delta(CSA)	31.63*	-42.2*	7.57*	37.59*
eta(CSA)	0.012*	-0.063*	0.333*	-0.452*
delta(11)	45.04	34.44	18.67	47.32
delta(22)	-2.22	31.78	8.57	-0.58
delta(33)	-2.6	-30.19	6.05	-17.55
omega	47.64	64.63	12.62	64.87
kappa	-0.98	0.92	-0.6	-0.48
LB	180.6379*	285.5842*	242.5822*	248.5317*
GB	186.9055*	125.5015*	69.7793*	37.2027*
Integral	26171185.5	23171082.34	8721180.74	5370891.84


Best Overlap(%)	96.67275152375527
--- NEW ITERATION ---
Iteration started at	8/30/22 11:22:57 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10007.6*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4	5
Iy	477709.5	406203.4	175335.6	145146.1	220391.1
delta(iso)	13.094	11.908	10.955	9.596	13.796
delta(CSA)	16.84*	-42.7*	13.16*	21.65*	44.2*
eta(CSA)	0.013*	0.301*	0.389*	-0.32*	0.038*
delta(11)	29.93	39.67	24.11	31.25	57.99
delta(22)	4.79	26.84	6.93	2.23	-7.46
delta(33)	4.56	-30.79	1.82	-4.69	-9.14
omega	25.37	70.46	22.3	35.94	67.14
kappa	-0.98	0.64	-0.54	-0.61	-0.95
LB	200.7179	321.9963	0	231.8505	164.9586
GB	177.0739	95.293	231.6861	40.5419	72.2258
Integral	21472942.66	24258679.67	4559321.93	5749804.31	7131302.93


SIMPLEX Optimization Started
Starting Overlap(%)	96.29233597683911


Iteration Stopped in Cycle# 142
Overlap(%)	96.313223016455
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 11:23:14 AM

SITES	1	2	3	4	5
Iy	477709.5	406203.4	175335.6	145146.1	220391.1
delta(iso)	13.094	11.908	10.955	9.596	13.796
delta(CSA)	17.86*	-42.56*	11.44*	28.63*	53.4*
eta(CSA)	0.012*	0.242*	0.428*	-0.342*	0.03*
delta(11)	30.96	38.33	22.4	38.23	67.2
delta(22)	4.27	28.04	7.68	0.17	-12.12
delta(33)	4.06	-30.65	2.78	-9.61	-13.69
omega	26.89	68.98	19.62	47.84	80.89
kappa	-0.98	0.7	-0.5	-0.59	-0.96
LB	200.7179	321.9963	0	231.8505	164.9586
GB	177.0739	95.293	231.6861	40.5419	72.2258
Integral	21483006.16	24223458.87	4552809.37	5823909.66	7347836.33


Best Overlap(%)	96.313223016455
--- NEW ITERATION ---
Iteration started at	8/30/22 11:23:18 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10043.9*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4	5
Iy	477709.5	406203.4	175335.6	145146.1	220391.1
delta(iso)	13.094	11.908	10.955	9.596	13.796
delta(CSA)	17.86*	-42.56*	11.44*	28.63*	53.4*
eta(CSA)	0.012*	0.242*	0.428*	-0.342*	0.03*
delta(11)	30.96	38.33	22.4	38.23	67.2
delta(22)	4.27	28.04	7.68	0.17	-12.12
delta(33)	4.06	-30.65	2.78	-9.61	-13.69
omega	26.89	68.98	19.62	47.84	80.89
kappa	-0.98	0.7	-0.5	-0.59	-0.96
LB	200.7179	321.9963	0	231.8505	164.9586
GB	177.0739	95.293	231.6861	40.5419	72.2258
Integral	21483006.16	24223458.87	4552809.37	5823909.66	7347836.33


SIMPLEX Optimization Started
Starting Overlap(%)	96.31337820126167


Iteration Stopped in Cycle# 70
Overlap(%)	96.31799428789489
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 11:23:26 AM

SITES	1	2	3	4	5
Iy	477709.5	406203.4	175335.6	145146.1	220391.1
delta(iso)	13.094	11.908	10.955	9.596	13.796
delta(CSA)	19.81*	-43.26*	10.16*	28.45*	52.31*
eta(CSA)	0.012*	0.113*	0.457*	-0.402*	0.032*
delta(11)	32.91	35.98	21.11	38.04	66.11
delta(22)	3.31	31.09	8.2	1.09	-11.52
delta(33)	3.07	-31.35	3.55	-10.34	-13.2
omega	29.84	67.33	17.56	48.39	79.3
kappa	-0.98	0.85	-0.47	-0.53	-0.96
LB	200.7179	321.9963	0	231.8505	164.9586
GB	177.0739	95.293	231.6861	40.5419	72.2258
Integral	21541882.79	24248733.75	4549564.69	5827781.49	7311574.36


Best Overlap(%)	96.31799428789489
--- NEW ITERATION ---
Iteration started at	8/30/22 11:23:47 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10043.1*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4	5
Iy	477709.5	406203.4	175335.6	145146.1	220391.1
delta(iso)	13.094	11.908	10.955	9.596	13.796
delta(CSA)	19.81*	-43.26*	10.16*	28.45*	52.31*
eta(CSA)	0.012*	0.113*	0.457*	-0.402*	0.032*
delta(11)	32.91	35.98	21.11	38.04	66.11
delta(22)	3.31	31.09	8.2	1.09	-11.52
delta(33)	3.07	-31.35	3.55	-10.34	-13.2
omega	29.84	67.33	17.56	48.39	79.3
kappa	-0.98	0.85	-0.47	-0.53	-0.96
LB	200.7179	321.9963	160	231.8505	164.9586
GB	177.0739	95.293	100	40.5419	72.2258
Integral	21552507.07	24248618.45	5585585.51	5822540.99	7319851.73


SIMPLEX Optimization Started
Starting Overlap(%)	95.85101694477807


Iteration Stopped in Cycle# 74
Overlap(%)	95.85333233956473
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 11:23:56 AM

SITES	1	2	3	4	5
Iy	477709.5	406203.4	175335.6	145146.1	220391.1
delta(iso)	13.094	11.908	10.955	9.596	13.796
delta(CSA)	14.08*	-43.66*	9.87*	27.66*	50.77*
eta(CSA)	0.013*	0.115*	0.484*	-0.487*	0.035*
delta(11)	27.17	36.24	20.83	37.25	64.57
delta(22)	6.14	31.23	8.41	2.5	-10.71
delta(33)	5.97	-31.75	3.63	-10.97	-12.47
omega	21.21	68.0	17.2	48.22	77.04
kappa	-0.98	0.85	-0.44	-0.44	-0.95
LB	200.7179	321.9963	160	231.8505	164.9586
GB	177.0739	95.293	100	40.5419	72.2258
Integral	21411505.12	24291120.7	5583889.17	5816202.6	7280327.61


Best Overlap(%)	95.85333233956473
--- NEW ITERATION ---
Iteration started at	8/30/22 11:24:12 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10044.4*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4	5
Iy	477709.5*	406203.4*	175335.6*	145146.1*	220391.1*
delta(iso)	13.094*	11.908*	10.955*	9.596*	13.796*
delta(CSA)	14.08*	-43.66*	9.87*	27.66*	50.77*
eta(CSA)	0.013*	0.115*	0.484*	-0.487*	0.035*
delta(11)	27.17	36.24	20.83	37.25	64.57
delta(22)	6.14	31.23	8.41	2.5	-10.71
delta(33)	5.97	-31.75	3.63	-10.97	-12.47
omega	21.21	68.0	17.2	48.22	77.04
kappa	-0.98	0.85	-0.44	-0.44	-0.95
LB	200.7179*	321.9963*	160*	231.8505*	164.9586*
GB	177.0739*	95.293*	100*	40.5419*	72.2258*
Integral	21411505.12	24291120.7	5583889.17	5816202.6	7280327.61


SIMPLEX Optimization Started
Starting Overlap(%)	95.85528156111174
Overlap(%)	96.76530534046796
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 11:25:49 AM

SITES	1	2	3	4	5
Iy	442891.2*	412565.6*	179696.9*	118998.4*	253715*
delta(iso)	13.116*	11.894*	11.049*	9.689*	13.827*
delta(CSA)	16.4*	-42.33*	9.31*	31.44*	49.01*
eta(CSA)	0.01*	0.108*	0.571*	-0.573*	0.031*
delta(11)	29.51	35.36	20.36	41.12	62.84
delta(22)	5.0	30.76	9.05	2.98	-9.93
delta(33)	4.84	-30.44	3.74	-15.04	-11.43
omega	24.67	65.79	16.63	56.16	74.27
kappa	-0.99	0.86	-0.36	-0.36	-0.96
LB	161.7473*	319.4136*	194.0341*	240.5075*	207.8309*
GB	181.425*	68.8963*	116.4286*	33.0733*	77.5464*
Integral	17735263.55	23782232.56	6862896.67	4954912.41	10234807.16


Best Overlap(%)	96.76530534046796
--- NEW ITERATION ---
Iteration started at	8/30/22 11:26:01 AM

SPECTRUM	1
Name	bd99167.4mmHXY.10042022.31P.Li6.75P0.25Si0.75O5Cl
ExpNo	3
ProcNo	1
User	
Dir	C:\BRUKER\TopSpin4.0.6\data\NMR

FIT CONDITION FLAGS
All	true
DOR	false
Sync	false

SPECTRAL PARAMETERS
MASR	10039.7*
DORR	0.0
Angle	54.7
AngleInt	90.0
Side bands	1
DOR bands	0
F1P (Fitting) = 100	F2P (Fitting) = -100

SITES	1	2	3	4	5
Iy	442891.2*	412565.6*	179696.9*	118998.4*	253715*
delta(iso)	13.116*	11.894*	11.049*	9.689*	13.827*
delta(CSA)	16.4*	-42.33*	9.31*	31.44*	49.01*
eta(CSA)	0.01*	0.108*	0.571*	-0.573*	0.031*
delta(11)	29.51	35.36	20.36	41.12	62.84
delta(22)	5.0	30.76	9.05	2.98	-9.93
delta(33)	4.84	-30.44	3.74	-15.04	-11.43
omega	24.67	65.79	16.63	56.16	74.27
kappa	-0.99	0.86	-0.36	-0.36	-0.96
LB	161.7473*	319.4136*	194.0341*	240.5075*	207.8309*
GB	181.425*	68.8963*	116.4286*	33.0733*	77.5464*
Integral	17735263.55	23782232.56	6862896.67	4954912.41	10234807.16


SIMPLEX Optimization Started
Starting Overlap(%)	96.76572481066404


Iteration Stopped in Cycle# 236
Overlap(%)	96.77428918038078
--- ITERATION RESULT ---
Iteration terminated at	8/30/22 11:26:30 AM

SITES	1	2	3	4	5
Iy	442481.1*	411464.2*	180134.2*	119751.9*	254345.6*
delta(iso)	13.113*	11.892*	11.05*	9.686*	13.827*
delta(CSA)	16.25*	-42.3*	9.28*	31.44*	46.58*
eta(CSA)	0.01*	0.112*	0.568*	-0.607*	0.031*
delta(11)	29.37	35.4	20.33	41.13	60.41
delta(22)	5.06	30.68	9.04	3.51	-8.75
delta(33)	4.91	-30.41	3.78	-15.58	-10.18
omega	24.46	65.81	16.55	56.71	70.59
kappa	-0.99	0.86	-0.36	-0.33	-0.96
LB	161.1861*	319.7422*	191.9568*	238.9068*	207.9743*
GB	181.3432*	70.6932*	119.367*	32.7552*	80.7835*
Integral	17665113.61	23790268.19	6842660.36	4963657.09	10255494.89


Best Overlap(%)	96.77428918038078
