Mon Jul 04 16:33:30.838 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:33:30.841 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D1_OS_Plate03_D1\1\pdata\1
Mon Jul 04 16:33:30.848 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:33:30.852 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:33:30.855 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:33:30.919 CEST 2022: No HSQC data available
Mon Jul 04 16:33:30.932 CEST 2022: No C13 data available
Mon Jul 04 16:33:30.946 CEST 2022: No HMBC data available
Mon Jul 04 16:33:30.961 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:33:30.984 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:33:31.384 CEST 2022: Structure is used: true
Mon Jul 04 16:33:31.404 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D1_OS_Plate03_D1/1/D1_OS_Plate03_D1-9e955057-ec99-4216-9fa1-db904cf8774c.mol
Mon Jul 04 16:33:31.406 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Mon Jul 04 16:33:31.419 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:33:31.421 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:33:31.425 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:33:31.428 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:33:31.430 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:33:31.433 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:33:31.435 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:33:31.440 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:33:31.443 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:33:31.446 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:33:31.448 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:33:31.451 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 16:33:31.453 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:33:31.456 CEST 2022: RMSD noise: 28024828.001 (12.669/12.169)
Mon Jul 04 16:33:31.458 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:33:31.461 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:33:31.465 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:33:31.489 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:33:31.583 CEST 2022: Number of Peaks: (91, 16)
Mon Jul 04 16:33:31.586 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:33:31.589 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:33:31.604 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:33:31.607 CEST 2022: Signal-to-Noise ratio: 20359.07 (1.091 ppm)
Mon Jul 04 16:33:31.611 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:33:31.613 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:31.616 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:33:31.637 CEST 2022: Number of Multiplets: 148
Mon Jul 04 16:33:31.640 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:33:31.692 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:33:31.698 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:33:31.708 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:33:31.847 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:33:31.860 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:33:31.878 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:33:31.882 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:33:31.885 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:33:31.888 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:33:31.960 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon Jul 04 16:33:32.165 CEST 2022: Elapsed time for evaluation (IN Suite): 0.20 s.
Mon Jul 04 16:33:32.213 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:33:32.567 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:33:32.570 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:32.573 CEST 2022: CMC-q finished in 1.74 s.
