Mon Jul 04 16:32:17.262 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:32:17.265 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E8_OS_Plate02_E8\1\pdata\1
Mon Jul 04 16:32:17.273 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:32:17.276 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:32:17.279 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:32:17.311 CEST 2022: No HSQC data available
Mon Jul 04 16:32:17.323 CEST 2022: No C13 data available
Mon Jul 04 16:32:17.335 CEST 2022: No HMBC data available
Mon Jul 04 16:32:17.341 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:32:17.362 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:32:17.473 CEST 2022: Structure is used: true
Mon Jul 04 16:32:17.493 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E8_OS_Plate02_E8/1/E8_OS_Plate02_E8-a9354640-484b-4c51-9378-d8cd8f0b88d9.mol
Mon Jul 04 16:32:17.496 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:32:17.509 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:32:17.512 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:32:17.515 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:32:17.518 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:32:17.520 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:32:17.522 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:32:17.525 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:32:17.529 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:32:17.532 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:32:17.535 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:32:17.537 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:32:17.540 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 16:32:17.542 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:32:17.544 CEST 2022: RMSD noise: 29852845.608 (5.315/4.815)
Mon Jul 04 16:32:17.546 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:32:17.549 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:32:17.553 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:32:17.577 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:32:17.667 CEST 2022: Number of Peaks: (75, 20)
Mon Jul 04 16:32:17.678 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:32:17.680 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:32:17.694 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:32:17.697 CEST 2022: Signal-to-Noise ratio: 5032.63 (3.770 ppm)
Mon Jul 04 16:32:17.699 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:32:17.701 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:17.704 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:32:17.717 CEST 2022: Number of Multiplets: 99
Mon Jul 04 16:32:17.724 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:32:17.905 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:32:17.910 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.18 s.
Mon Jul 04 16:32:17.915 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:32:18.049 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:32:18.053 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:32:18.057 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:32:18.061 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:32:18.064 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:18.067 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:32:18.075 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:32:18.618 CEST 2022: Elapsed time for evaluation (IN Suite): 0.54 s.
Mon Jul 04 16:32:18.668 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:32:18.671 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:32:19.028 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:32:19.031 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:19.034 CEST 2022: CMC-q finished in 1.77 s.
