Mon Jul 04 16:52:07.992 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:52:07.994 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D6_OS_Plate06_D6\1\pdata\1
Mon Jul 04 16:52:08.002 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:52:08.005 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:52:08.008 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:52:09.295 CEST 2022: No HSQC data available
Mon Jul 04 16:52:09.307 CEST 2022: No C13 data available
Mon Jul 04 16:52:09.318 CEST 2022: No HMBC data available
Mon Jul 04 16:52:09.325 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:52:09.477 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.15 s.
Mon Jul 04 16:52:09.557 CEST 2022: Structure is used: true
Mon Jul 04 16:52:09.560 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D6_OS_Plate06_D6/1/D6_OS_Plate06_D6-eeb51f0c-8ff0-429f-8a6f-769134fda944.mol
Mon Jul 04 16:52:09.563 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:52:09.573 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:52:09.575 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:52:09.578 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:52:09.580 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:52:09.582 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:52:09.584 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:52:09.587 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:52:09.591 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:52:09.593 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:52:09.597 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:52:09.599 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:52:09.601 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 16:52:09.604 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:52:09.606 CEST 2022: RMSD noise: 29303839.770 (-1.222/-1.722)
Mon Jul 04 16:52:09.608 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:52:09.611 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:52:09.615 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:52:09.639 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:52:09.830 CEST 2022: Number of Peaks: (224, 15)
Mon Jul 04 16:52:09.833 CEST 2022: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon Jul 04 16:52:09.835 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:52:09.870 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:52:09.873 CEST 2022: Signal-to-Noise ratio: 25365.34 (7.472 ppm)
Mon Jul 04 16:52:09.875 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:52:09.878 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:09.880 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.32 s.
Mon Jul 04 16:52:09.961 CEST 2022: Number of Multiplets: 340
Mon Jul 04 16:52:09.964 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon Jul 04 16:52:10.089 CEST 2022: Number of Peak Cluster: 48
Mon Jul 04 16:52:10.102 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.14 s.
Mon Jul 04 16:52:10.129 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:52:10.393 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.26 s.
Mon Jul 04 16:52:10.408 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:52:10.414 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:52:10.418 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:52:10.420 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:52:10.423 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:52:10.428 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:52:10.445 CEST 2022: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon Jul 04 16:52:10.492 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:52:10.831 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:52:10.834 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:10.837 CEST 2022: CMC-q finished in 2.85 s.
