Mon Jul 04 16:34:13.300 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:34:13.303 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F2_OS_Plate03_F2\1\pdata\1
Mon Jul 04 16:34:13.310 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:34:13.314 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:34:13.317 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:34:13.356 CEST 2022: No HSQC data available
Mon Jul 04 16:34:13.368 CEST 2022: No C13 data available
Mon Jul 04 16:34:13.381 CEST 2022: No HMBC data available
Mon Jul 04 16:34:13.389 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:34:13.411 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:34:13.560 CEST 2022: Structure is used: true
Mon Jul 04 16:34:13.578 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F2_OS_Plate03_F2/1/F2_OS_Plate03_F2-4ec32750-6873-4d9d-826e-259112da728f.mol
Mon Jul 04 16:34:13.580 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.17 s.
Mon Jul 04 16:34:13.591 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:34:13.593 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:34:13.596 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:34:13.599 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:34:13.601 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:34:13.604 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:34:13.606 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:34:13.611 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:34:13.614 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:34:13.617 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:34:13.619 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:34:13.622 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 16:34:13.624 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:34:13.627 CEST 2022: RMSD noise: 28481801.194 (12.669/12.169)
Mon Jul 04 16:34:13.629 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:34:13.632 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:34:13.636 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:34:13.659 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:34:13.795 CEST 2022: Number of Peaks: (120, 22)
Mon Jul 04 16:34:13.798 CEST 2022: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon Jul 04 16:34:13.801 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:34:13.815 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:34:13.818 CEST 2022: Signal-to-Noise ratio: 3826.79 (1.049 ppm)
Mon Jul 04 16:34:13.821 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:34:13.824 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:13.826 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:34:13.861 CEST 2022: Number of Multiplets: 201
Mon Jul 04 16:34:13.863 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:34:13.926 CEST 2022: Number of Peak Cluster: 34
Mon Jul 04 16:34:13.932 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:34:13.945 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:34:14.117 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:34:14.132 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:34:14.149 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:34:14.154 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:34:14.157 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:34:14.161 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:34:14.614 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.45 s.
Mon Jul 04 16:34:14.900 CEST 2022: Elapsed time for evaluation (IN Suite): 0.28 s.
Mon Jul 04 16:34:14.953 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:34:15.326 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:34:15.330 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:15.332 CEST 2022: CMC-q finished in 2.03 s.
