Mon Jul 04 16:44:02.739 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:44:02.741 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B9_OS_Plate04_B9\1\pdata\1
Mon Jul 04 16:44:02.749 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:44:02.753 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:44:02.755 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:44:02.793 CEST 2022: No HSQC data available
Mon Jul 04 16:44:02.803 CEST 2022: No C13 data available
Mon Jul 04 16:44:02.813 CEST 2022: No HMBC data available
Mon Jul 04 16:44:02.820 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:44:02.842 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:44:02.932 CEST 2022: Structure is used: true
Mon Jul 04 16:44:02.954 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B9_OS_Plate04_B9/1/B9_OS_Plate04_B9-e412991c-5fca-42fd-9445-6e17d303e3ce.mol
Mon Jul 04 16:44:02.957 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:44:03.031 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:44:03.034 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.07 s.
Mon Jul 04 16:44:03.037 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:44:03.040 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:44:03.042 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:44:03.045 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:44:03.047 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:44:03.052 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:44:03.054 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:44:03.057 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:44:03.060 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:44:03.062 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 16:44:03.064 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:44:03.066 CEST 2022: RMSD noise: 29275139.379 (12.669/12.169)
Mon Jul 04 16:44:03.069 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:44:03.072 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:44:03.075 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:44:03.099 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:44:03.179 CEST 2022: Number of Peaks: (67, 6)
Mon Jul 04 16:44:03.183 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:44:03.185 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:44:03.199 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:44:03.202 CEST 2022: Signal-to-Noise ratio: 5395.90 (3.329 ppm)
Mon Jul 04 16:44:03.204 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:44:03.207 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:44:03.209 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:44:03.223 CEST 2022: Number of Multiplets: 98
Mon Jul 04 16:44:03.225 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:44:03.286 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:44:03.292 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:44:03.304 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:44:03.431 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:44:03.437 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:44:03.442 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:44:03.445 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:44:03.448 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:44:03.450 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:44:03.459 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:44:03.501 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 16:44:03.550 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:44:03.895 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:44:03.899 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:44:03.901 CEST 2022: CMC-q finished in 1.16 s.
