Mon Jul 04 16:34:57.101 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:34:57.104 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C4_OS_Plate03_C4\1\pdata\1
Mon Jul 04 16:34:57.112 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:34:57.117 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:34:57.120 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:34:57.177 CEST 2022: No HSQC data available
Mon Jul 04 16:34:57.190 CEST 2022: No C13 data available
Mon Jul 04 16:34:57.202 CEST 2022: No HMBC data available
Mon Jul 04 16:34:57.216 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:34:57.243 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:34:57.415 CEST 2022: Structure is used: true
Mon Jul 04 16:34:57.441 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C4_OS_Plate03_C4/1/C4_OS_Plate03_C4-ed3ae29b-eedd-49d5-9751-1597ebcc2507.mol
Mon Jul 04 16:34:57.444 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.20 s.
Mon Jul 04 16:34:57.605 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:34:57.608 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.16 s.
Mon Jul 04 16:34:57.612 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:34:57.615 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:34:57.617 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:34:57.620 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:34:57.622 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:34:57.627 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:34:57.630 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:34:57.634 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:34:57.636 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:34:57.639 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 16:34:57.642 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:34:57.644 CEST 2022: RMSD noise: 27662475.781 (12.669/12.169)
Mon Jul 04 16:34:57.647 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:34:57.654 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:34:57.658 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:34:57.683 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:34:57.766 CEST 2022: Number of Peaks: (65, 22)
Mon Jul 04 16:34:57.769 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:34:57.772 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:34:57.787 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:34:57.790 CEST 2022: Signal-to-Noise ratio: 1352.70 (2.140 ppm)
Mon Jul 04 16:34:57.793 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:34:57.796 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:57.799 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.35 s.
Mon Jul 04 16:34:57.818 CEST 2022: Number of Multiplets: 116
Mon Jul 04 16:34:57.821 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:34:57.862 CEST 2022: Number of Peak Cluster: 21
Mon Jul 04 16:34:57.869 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:34:57.881 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:34:58.008 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:34:58.013 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:34:58.018 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:34:58.022 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:34:58.025 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:34:58.029 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:34:58.076 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:34:58.331 CEST 2022: Elapsed time for evaluation (IN Suite): 0.25 s.
Mon Jul 04 16:34:58.390 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:34:58.758 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:34:58.761 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:58.764 CEST 2022: CMC-q finished in 1.66 s.
