Tue Jul 05 12:06:34.311 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:06:34.313 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G11_OS_Plate03_G11\1\pdata\1
Tue Jul 05 12:06:34.321 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:06:34.325 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:06:34.328 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:06:34.477 CEST 2022: No HSQC data available
Tue Jul 05 12:06:34.499 CEST 2022: No C13 data available
Tue Jul 05 12:06:34.510 CEST 2022: No HMBC data available
Tue Jul 05 12:06:34.518 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:06:34.636 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.11 s.
Tue Jul 05 12:06:34.740 CEST 2022: Structure is used: true
Tue Jul 05 12:06:34.743 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G11_OS_Plate03_G11/1/D1_EUOS_Remeasure_D1-615fbb22-665d-420a-b1eb-803caa0a01d2.mol
Tue Jul 05 12:06:34.745 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Tue Jul 05 12:06:36.079 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:06:36.082 CEST 2022: Elapsed time for evaluation (ICH Suite): 1.33 s.
Tue Jul 05 12:06:36.085 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:06:36.088 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:06:36.091 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:06:36.093 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:06:36.095 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:06:36.100 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:06:36.103 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:06:36.106 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:06:36.109 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:06:36.111 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:06:36.113 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:06:36.115 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:06:36.118 CEST 2022: RMSD noise: 18419467.890 (-0.977/-1.477)
Tue Jul 05 12:06:36.120 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:06:36.123 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:06:36.127 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:06:36.152 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:06:36.245 CEST 2022: Number of Peaks: (83, 10)
Tue Jul 05 12:06:36.249 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Tue Jul 05 12:06:36.251 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:06:36.266 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Tue Jul 05 12:06:36.269 CEST 2022: Signal-to-Noise ratio: 1162.12 (7.445 ppm)
Tue Jul 05 12:06:36.272 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:06:36.274 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:06:36.277 CEST 2022: Elapsed time for evaluation (PRE Suite): 1.53 s.
Tue Jul 05 12:06:36.310 CEST 2022: Number of Multiplets: 185
Tue Jul 05 12:06:36.314 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Tue Jul 05 12:06:36.361 CEST 2022: Number of Peak Cluster: 22
Tue Jul 05 12:06:36.368 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Tue Jul 05 12:06:36.415 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Tue Jul 05 12:06:36.560 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Tue Jul 05 12:06:36.587 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:06:36.592 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:06:36.596 CEST 2022: Number of consistent PNS: 5
Tue Jul 05 12:06:36.598 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:06:36.604 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:06:36.648 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Tue Jul 05 12:06:36.778 CEST 2022: Elapsed time for evaluation (IN Suite): 0.13 s.
Tue Jul 05 12:06:36.831 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:06:36.834 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:06:37.206 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:06:37.209 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:06:37.211 CEST 2022: CMC-q finished in 2.90 s.
