Mon Jul 04 16:45:54.180 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:45:54.183 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C2_OS_Plate05_C2\1\pdata\1
Mon Jul 04 16:45:54.190 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:45:54.194 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:45:54.196 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:45:54.225 CEST 2022: No HSQC data available
Mon Jul 04 16:45:54.236 CEST 2022: No C13 data available
Mon Jul 04 16:45:54.248 CEST 2022: No HMBC data available
Mon Jul 04 16:45:54.259 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:45:54.282 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:45:54.401 CEST 2022: Structure is used: true
Mon Jul 04 16:45:54.404 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C2_OS_Plate05_C2/1/2_OS_Plate05_C2.mol
Mon Jul 04 16:45:54.407 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:45:54.419 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:45:54.422 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:45:54.425 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:45:54.428 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:45:54.430 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:45:54.433 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:45:54.435 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:45:54.439 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:45:54.442 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:45:54.445 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:45:54.447 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:45:54.450 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 16:45:54.452 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:45:54.455 CEST 2022: RMSD noise: 29467338.065 (-1.223/-1.722)
Mon Jul 04 16:45:54.457 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:45:54.460 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:45:54.464 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:45:54.488 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:45:54.593 CEST 2022: Number of Peaks: (99, 10)
Mon Jul 04 16:45:54.614 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:45:54.616 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:45:54.638 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:45:54.641 CEST 2022: Signal-to-Noise ratio: 5993.23 (1.033 ppm)
Mon Jul 04 16:45:54.644 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:45:54.646 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:54.648 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:45:54.674 CEST 2022: Number of Multiplets: 139
Mon Jul 04 16:45:54.677 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:45:55.030 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:45:55.036 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.36 s.
Mon Jul 04 16:45:55.057 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:45:55.212 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:45:55.220 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:45:55.225 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:45:55.228 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:45:55.231 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:55.234 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:45:55.252 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:45:55.501 CEST 2022: Elapsed time for evaluation (IN Suite): 0.25 s.
Mon Jul 04 16:45:55.554 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:45:55.908 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:45:55.911 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:55.913 CEST 2022: CMC-q finished in 1.73 s.
