Mon Jul 04 16:40:23.612 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:40:23.615 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E2_OS_Plate04_E2\1\pdata\1
Mon Jul 04 16:40:23.622 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:40:23.626 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:40:23.629 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:40:23.720 CEST 2022: No HSQC data available
Mon Jul 04 16:40:23.732 CEST 2022: No C13 data available
Mon Jul 04 16:40:23.745 CEST 2022: No HMBC data available
Mon Jul 04 16:40:23.753 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:40:23.956 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.20 s.
Mon Jul 04 16:40:24.054 CEST 2022: Structure is used: true
Mon Jul 04 16:40:24.057 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E2_OS_Plate04_E2/1/E2_OS_Plate04_E2-36d44c65-2355-4d34-8e84-c53d9290c209.mol
Mon Jul 04 16:40:24.060 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:40:24.071 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:40:24.074 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:40:24.077 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:40:24.080 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:40:24.082 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:40:24.084 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:40:24.086 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:40:24.091 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:40:24.094 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:40:24.096 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:40:24.099 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:40:24.101 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 16:40:24.103 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:40:24.106 CEST 2022: RMSD noise: 31184726.081 (4.497/3.998)
Mon Jul 04 16:40:24.108 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:40:24.111 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:40:24.115 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:40:24.139 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:40:24.228 CEST 2022: Number of Peaks: (80, 7)
Mon Jul 04 16:40:24.247 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:40:24.250 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:40:24.343 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.09 s.
Mon Jul 04 16:40:24.346 CEST 2022: Signal-to-Noise ratio: 4611.67 (2.770 ppm)
Mon Jul 04 16:40:24.349 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:40:24.351 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:24.354 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Mon Jul 04 16:40:24.370 CEST 2022: Number of Multiplets: 113
Mon Jul 04 16:40:24.373 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:40:24.421 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:40:24.427 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:40:24.437 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:40:24.566 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:40:24.573 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:40:24.578 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:40:24.582 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:40:24.585 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:24.587 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:40:24.636 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 16:40:25.027 CEST 2022: Elapsed time for evaluation (IN Suite): 0.39 s.
Mon Jul 04 16:40:25.082 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:40:25.453 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:40:25.456 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:25.459 CEST 2022: CMC-q finished in 1.85 s.
