Mon Jul 04 16:36:21.186 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:36:21.189 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H6_OS_Plate03_H6\1\pdata\1
Mon Jul 04 16:36:21.196 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:36:21.200 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:36:21.203 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:36:21.370 CEST 2022: No HSQC data available
Mon Jul 04 16:36:21.382 CEST 2022: No C13 data available
Mon Jul 04 16:36:21.393 CEST 2022: No HMBC data available
Mon Jul 04 16:36:21.402 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:36:21.438 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon Jul 04 16:36:21.540 CEST 2022: Structure is used: true
Mon Jul 04 16:36:21.543 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H6_OS_Plate03_H6/1/H6_OS_Plate03_H6-9933705d-b608-4989-91e1-c42ce0063827.mol
Mon Jul 04 16:36:21.546 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:36:21.552 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:36:21.554 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:36:21.557 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:36:21.560 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:36:21.562 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:36:21.564 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:36:21.567 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:36:21.571 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:36:21.574 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:36:21.577 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:36:21.579 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:36:21.582 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 16:36:21.584 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:36:21.586 CEST 2022: RMSD noise: 30235569.185 (11.851/11.352)
Mon Jul 04 16:36:21.589 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:36:21.592 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:36:21.596 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:36:21.619 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:36:21.705 CEST 2022: Number of Peaks: (64, 18)
Mon Jul 04 16:36:21.709 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:36:21.711 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:36:21.744 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:36:21.746 CEST 2022: Signal-to-Noise ratio: 2773.72 (1.073 ppm)
Mon Jul 04 16:36:21.749 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:36:21.752 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:36:21.754 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:36:21.769 CEST 2022: Number of Multiplets: 98
Mon Jul 04 16:36:21.771 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:36:21.807 CEST 2022: Number of Peak Cluster: 19
Mon Jul 04 16:36:21.813 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:36:21.818 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:36:21.952 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:36:21.957 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:36:21.961 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:36:21.965 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:36:21.967 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:36:21.970 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:36:21.981 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:36:22.139 CEST 2022: Elapsed time for evaluation (IN Suite): 0.16 s.
Mon Jul 04 16:36:22.192 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:36:22.809 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.67 s.
Mon Jul 04 16:36:22.840 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:36:22.843 CEST 2022: CMC-q finished in 1.66 s.
