Mon Jul 04 16:29:33.838 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:29:33.841 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A2_OS_Plate02_A2\1\pdata\1
Mon Jul 04 16:29:33.848 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:29:33.852 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:29:33.854 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:29:33.887 CEST 2022: No HSQC data available
Mon Jul 04 16:29:33.898 CEST 2022: No C13 data available
Mon Jul 04 16:29:33.908 CEST 2022: No HMBC data available
Mon Jul 04 16:29:33.915 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:29:33.935 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:29:34.036 CEST 2022: Structure is used: true
Mon Jul 04 16:29:34.039 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A2_OS_Plate02_A2/1/A2_OS_Plate02_A2-ed9c9b5c-6718-4a66-9b2a-8f2663aa70ea.mol
Mon Jul 04 16:29:34.041 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:29:34.053 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:29:34.055 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:29:34.058 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:29:34.060 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:29:34.063 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:29:34.065 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:29:34.067 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:29:34.072 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:29:34.074 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:29:34.077 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:29:34.079 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:29:34.081 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 16:29:34.084 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:29:34.086 CEST 2022: RMSD noise: 31440295.188 (11.034/10.534)
Mon Jul 04 16:29:34.088 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:29:34.091 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:29:34.095 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:29:34.119 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:29:34.201 CEST 2022: Number of Peaks: (79, 6)
Mon Jul 04 16:29:34.204 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:29:34.207 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:29:34.251 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:29:34.254 CEST 2022: Signal-to-Noise ratio: 6269.16 (2.803 ppm)
Mon Jul 04 16:29:34.257 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:29:34.259 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:34.261 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:29:34.277 CEST 2022: Number of Multiplets: 110
Mon Jul 04 16:29:34.279 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:29:34.333 CEST 2022: Number of Peak Cluster: 34
Mon Jul 04 16:29:34.356 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:29:34.368 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:29:34.506 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:29:34.515 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:29:34.521 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:29:34.524 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:29:34.527 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:29:34.529 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:29:34.588 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Mon Jul 04 16:29:34.630 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 16:29:34.680 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:29:35.025 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:29:35.028 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:35.030 CEST 2022: CMC-q finished in 1.19 s.
