Mon Jul 04 16:35:31.038 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:35:31.041 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B5_OS_Plate03_B5\1\pdata\1
Mon Jul 04 16:35:31.048 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:35:31.052 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:35:31.055 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:35:31.343 CEST 2022: No HSQC data available
Mon Jul 04 16:35:31.356 CEST 2022: No C13 data available
Mon Jul 04 16:35:31.369 CEST 2022: No HMBC data available
Mon Jul 04 16:35:31.378 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:35:31.406 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:35:31.549 CEST 2022: Structure is used: true
Mon Jul 04 16:35:31.573 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B5_OS_Plate03_B5/1/B5_OS_Plate03_B5-10e9f77d-b814-418d-bed6-eaba5b52c249.mol
Mon Jul 04 16:35:31.575 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.17 s.
Mon Jul 04 16:35:31.586 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:35:31.588 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:35:31.592 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:35:31.594 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:35:31.596 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:35:31.599 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:35:31.601 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:35:31.606 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:35:31.609 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:35:31.612 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:35:31.615 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:35:31.617 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 16:35:31.620 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:35:31.622 CEST 2022: RMSD noise: 30582933.445 (6.132/5.632)
Mon Jul 04 16:35:31.624 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:35:31.627 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:35:31.631 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:35:31.655 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:35:31.764 CEST 2022: Number of Peaks: (101, 9)
Mon Jul 04 16:35:31.774 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:35:31.776 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:35:31.827 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:35:31.830 CEST 2022: Signal-to-Noise ratio: 10518.39 (2.793 ppm)
Mon Jul 04 16:35:31.833 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:35:31.835 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:31.837 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:35:31.859 CEST 2022: Number of Multiplets: 152
Mon Jul 04 16:35:31.862 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:35:31.917 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:35:31.923 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:35:31.936 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:35:32.089 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:35:32.098 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:35:32.103 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:35:32.107 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:35:32.109 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:35:32.112 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:35:32.129 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:35:32.325 CEST 2022: Elapsed time for evaluation (IN Suite): 0.19 s.
Mon Jul 04 16:35:32.377 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:35:32.768 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Mon Jul 04 16:35:32.771 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:32.774 CEST 2022: CMC-q finished in 1.74 s.
