Mon Jul 04 16:11:09.710 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:11:09.713 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B4_OS_Plate01_B4\1\pdata\1
Mon Jul 04 16:11:09.720 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:11:09.724 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:11:09.727 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:11:09.765 CEST 2022: No HSQC data available
Mon Jul 04 16:11:09.775 CEST 2022: No C13 data available
Mon Jul 04 16:11:09.785 CEST 2022: No HMBC data available
Mon Jul 04 16:11:09.793 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:11:09.814 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:11:09.936 CEST 2022: Structure is used: true
Mon Jul 04 16:11:09.939 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B4_OS_Plate01_B4/1/B4_OS_Plate1_B4-6ba5e836-d54e-4595-be73-bc4a6a23a3b7.mol
Mon Jul 04 16:11:09.942 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:11:09.953 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:11:09.955 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:11:09.958 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:11:09.961 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:11:09.963 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:11:09.965 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:11:09.967 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:11:09.972 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:11:09.975 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:11:09.978 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:11:09.980 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:11:09.982 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]
Mon Jul 04 16:11:09.984 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:11:09.987 CEST 2022: RMSD noise: 29031075.072 (-2.040/-2.539)
Mon Jul 04 16:11:09.989 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:11:09.992 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:11:09.996 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:11:10.019 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:11:10.129 CEST 2022: Number of Peaks: (101, 8)
Mon Jul 04 16:11:10.152 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:11:10.155 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:11:10.220 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:11:10.223 CEST 2022: Signal-to-Noise ratio: 17803.17 (1.128 ppm)
Mon Jul 04 16:11:10.226 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:11:10.228 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:10.231 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Mon Jul 04 16:11:10.252 CEST 2022: Number of Multiplets: 157
Mon Jul 04 16:11:10.254 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:11:10.326 CEST 2022: Number of Peak Cluster: 42
Mon Jul 04 16:11:10.332 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon Jul 04 16:11:10.343 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:11:10.497 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:11:10.505 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:11:10.511 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:11:10.515 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:11:10.517 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:11:10.519 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:11:10.561 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:11:10.666 CEST 2022: Elapsed time for evaluation (IN Suite): 0.10 s.
Mon Jul 04 16:11:10.716 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:11:11.071 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:11:11.074 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:11.077 CEST 2022: CMC-q finished in 1.37 s.
