Mon Jul 04 16:37:39.445 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:37:39.448 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C8_OS_Plate03_C8\1\pdata\1
Mon Jul 04 16:37:39.456 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:37:39.459 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:37:39.462 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:37:39.600 CEST 2022: No HSQC data available
Mon Jul 04 16:37:39.615 CEST 2022: No C13 data available
Mon Jul 04 16:37:39.629 CEST 2022: No HMBC data available
Mon Jul 04 16:37:39.701 CEST 2022: Elapsed time for evaluation (XD Suite): 0.07 s.
Mon Jul 04 16:37:39.723 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:37:39.906 CEST 2022: Structure is used: true
Mon Jul 04 16:37:39.909 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C8_OS_Plate03_C8/1/C8_OS_Plate03_C8-e322277e-e3cb-40ab-9692-4e7e416f242f.mol
Mon Jul 04 16:37:39.911 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.19 s.
Mon Jul 04 16:37:40.173 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:37:40.176 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.26 s.
Mon Jul 04 16:37:40.179 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:37:40.181 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:37:40.184 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:37:40.186 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:37:40.189 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:37:40.193 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:37:40.195 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:37:40.198 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:37:40.201 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:37:40.203 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 16:37:40.205 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:37:40.208 CEST 2022: RMSD noise: 29452307.100 (11.034/10.534)
Mon Jul 04 16:37:40.210 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:37:40.213 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:37:40.217 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:37:40.241 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:37:40.346 CEST 2022: Number of Peaks: (96, 23)
Mon Jul 04 16:37:40.371 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:37:40.373 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:37:40.387 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:37:40.390 CEST 2022: Signal-to-Noise ratio: 6115.19 (2.052 ppm)
Mon Jul 04 16:37:40.393 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:37:40.395 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:37:40.397 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.48 s.
Mon Jul 04 16:37:40.421 CEST 2022: Number of Multiplets: 152
Mon Jul 04 16:37:40.424 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:37:40.476 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:37:40.482 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:37:40.493 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:37:40.638 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:37:40.652 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:37:40.657 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:37:40.661 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:37:40.664 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:37:40.667 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:37:40.936 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.27 s.
Mon Jul 04 16:37:41.167 CEST 2022: Elapsed time for evaluation (IN Suite): 0.22 s.
Mon Jul 04 16:37:41.767 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:37:42.135 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.97 s.
Mon Jul 04 16:37:42.138 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:37:42.141 CEST 2022: CMC-q finished in 2.70 s.
