Mon Jul 04 16:36:04.112 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:36:04.115 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D6_OS_Plate03_D6\1\pdata\1
Mon Jul 04 16:36:04.123 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:36:04.127 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:36:04.130 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:36:04.160 CEST 2022: No HSQC data available
Mon Jul 04 16:36:04.171 CEST 2022: No C13 data available
Mon Jul 04 16:36:04.181 CEST 2022: No HMBC data available
Mon Jul 04 16:36:04.189 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:36:04.540 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.35 s.
Mon Jul 04 16:36:04.664 CEST 2022: Structure is used: true
Mon Jul 04 16:36:04.684 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D6_OS_Plate03_D6/1/D6_OS_Plate03_D6-6083b912-73ea-411e-ad92-12ef83133aca.mol
Mon Jul 04 16:36:04.687 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:36:07.611 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:36:07.614 CEST 2022: Elapsed time for evaluation (ICH Suite): 2.92 s.
Mon Jul 04 16:36:07.617 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:36:07.619 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:36:07.622 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:36:07.624 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:36:07.627 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:36:07.632 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:36:07.635 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:36:07.638 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:36:07.641 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:36:07.643 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 16:36:07.646 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:36:07.649 CEST 2022: RMSD noise: 30413526.692 (6.949/6.449)
Mon Jul 04 16:36:07.651 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:36:07.654 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:36:07.658 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:36:07.684 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:36:07.801 CEST 2022: Number of Peaks: (88, 12)
Mon Jul 04 16:36:07.803 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:36:07.806 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:36:07.820 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:36:07.823 CEST 2022: Signal-to-Noise ratio: 6413.04 (3.068 ppm)
Mon Jul 04 16:36:07.826 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:36:07.829 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:36:07.832 CEST 2022: Elapsed time for evaluation (PRE Suite): 3.14 s.
Mon Jul 04 16:36:07.855 CEST 2022: Number of Multiplets: 156
Mon Jul 04 16:36:07.858 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:36:07.917 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:36:07.923 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:36:07.935 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:36:08.073 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:36:08.083 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:36:08.088 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:36:08.092 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:36:08.095 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:36:08.098 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:36:08.214 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Mon Jul 04 16:36:08.389 CEST 2022: Elapsed time for evaluation (IN Suite): 0.17 s.
Mon Jul 04 16:36:08.441 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:36:08.802 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:36:08.805 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:36:08.808 CEST 2022: CMC-q finished in 4.70 s.
