Mon Jul 04 16:52:57.971 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:52:57.974 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D9_OS_Plate06_D9\1\pdata\1
Mon Jul 04 16:52:57.981 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:52:57.984 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:52:57.987 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:52:58.038 CEST 2022: No HSQC data available
Mon Jul 04 16:52:58.052 CEST 2022: No C13 data available
Mon Jul 04 16:52:58.065 CEST 2022: No HMBC data available
Mon Jul 04 16:52:58.073 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:52:58.098 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:52:58.203 CEST 2022: Structure is used: true
Mon Jul 04 16:52:58.206 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D9_OS_Plate06_D9/1/D9_OS_Plate06_D9-01e403df-b596-4e5a-90ab-fe53a5baca81.mol
Mon Jul 04 16:52:58.209 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:52:58.220 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:52:58.223 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:52:58.226 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:52:58.228 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:52:58.231 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:52:58.233 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:52:58.235 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:52:58.240 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:52:58.242 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:52:58.245 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:52:58.248 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:52:58.250 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 16:52:58.253 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:52:58.255 CEST 2022: RMSD noise: 31366332.880 (-0.405/-0.905)
Mon Jul 04 16:52:58.257 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:52:58.260 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:52:58.264 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:52:58.288 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:52:58.524 CEST 2022: Number of Peaks: (180, 67)
Mon Jul 04 16:52:58.547 CEST 2022: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon Jul 04 16:52:58.550 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:52:58.563 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:52:58.566 CEST 2022: Signal-to-Noise ratio: 4473.40 (1.524 ppm)
Mon Jul 04 16:52:58.569 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:52:58.571 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:58.573 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.36 s.
Mon Jul 04 16:52:58.711 CEST 2022: Number of Multiplets: 365
Mon Jul 04 16:52:58.714 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.14 s.
Mon Jul 04 16:52:58.811 CEST 2022: Number of Peak Cluster: 34
Mon Jul 04 16:52:58.818 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon Jul 04 16:52:58.828 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:52:59.169 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon Jul 04 16:52:59.196 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 16:52:59.202 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:52:59.207 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:52:59.210 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:52:59.228 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon Jul 04 16:53:00.554 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 1.32 s.
Mon Jul 04 16:53:01.344 CEST 2022: Elapsed time for evaluation (IN Suite): 0.78 s.
Mon Jul 04 16:53:01.395 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:53:01.754 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:53:01.757 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:53:01.760 CEST 2022: CMC-q finished in 3.79 s.
