Mon Jul 04 16:11:34.368 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:11:34.370 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D5_OS_Plate01_D5\1\pdata\1
Mon Jul 04 16:11:34.377 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:11:34.381 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:11:34.384 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:11:34.422 CEST 2022: No HSQC data available
Mon Jul 04 16:11:34.433 CEST 2022: No C13 data available
Mon Jul 04 16:11:34.444 CEST 2022: No HMBC data available
Mon Jul 04 16:11:34.462 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 16:11:34.484 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:11:34.600 CEST 2022: Structure is used: true
Mon Jul 04 16:11:34.619 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D5_OS_Plate01_D5/1/D5_OS_Plate1_D5-879d1e12-d1df-41dd-932e-19560d3d133c.mol
Mon Jul 04 16:11:34.621 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:11:34.632 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:11:34.634 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:11:34.637 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:11:34.639 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:11:34.642 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:11:34.644 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:11:34.647 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:11:34.651 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:11:34.654 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:11:34.657 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:11:34.659 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:11:34.661 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 16:11:34.664 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:11:34.666 CEST 2022: RMSD noise: 31659901.904 (9.400/8.900)
Mon Jul 04 16:11:34.669 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:11:34.672 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:11:34.676 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:11:34.700 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:11:34.790 CEST 2022: Number of Peaks: (88, 8)
Mon Jul 04 16:11:34.794 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:11:34.796 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:11:34.898 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Mon Jul 04 16:11:34.901 CEST 2022: Signal-to-Noise ratio: 4452.77 (5.963 ppm)
Mon Jul 04 16:11:34.904 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:11:34.906 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:34.909 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Mon Jul 04 16:11:34.925 CEST 2022: Number of Multiplets: 113
Mon Jul 04 16:11:34.927 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:11:34.989 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 16:11:34.995 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:11:35.005 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:11:35.147 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:11:35.165 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:11:35.170 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:11:35.174 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:11:35.176 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:11:35.179 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:11:35.208 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:11:35.401 CEST 2022: Elapsed time for evaluation (IN Suite): 0.19 s.
Mon Jul 04 16:11:35.448 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:11:35.799 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:11:35.802 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:35.804 CEST 2022: CMC-q finished in 1.44 s.
