Mon Jul 04 16:47:09.735 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:47:09.737 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C5_OS_Plate05_C5\1\pdata\1
Mon Jul 04 16:47:09.745 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:47:09.749 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:47:09.752 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:47:09.782 CEST 2022: No HSQC data available
Mon Jul 04 16:47:09.794 CEST 2022: No C13 data available
Mon Jul 04 16:47:09.805 CEST 2022: No HMBC data available
Mon Jul 04 16:47:09.812 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:47:09.833 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:47:09.941 CEST 2022: Structure is used: true
Mon Jul 04 16:47:09.964 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C5_OS_Plate05_C5/1/5_OS_Plate05_C5.mol
Mon Jul 04 16:47:09.967 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:47:09.978 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:47:09.980 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:47:09.983 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:47:09.986 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:47:09.988 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:47:09.991 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:47:09.993 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:47:09.997 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:47:09.999 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:47:10.002 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:47:10.005 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:47:10.007 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 16:47:10.009 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:47:10.012 CEST 2022: RMSD noise: 29356691.028 (-2.860/-3.360)
Mon Jul 04 16:47:10.014 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:47:10.016 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:47:10.020 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:47:10.044 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:47:10.132 CEST 2022: Number of Peaks: (81, 18)
Mon Jul 04 16:47:10.135 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:47:10.137 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:47:10.150 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:47:10.152 CEST 2022: Signal-to-Noise ratio: 4815.14 (2.866 ppm)
Mon Jul 04 16:47:10.155 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:47:10.157 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:10.160 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.19 s.
Mon Jul 04 16:47:10.175 CEST 2022: Number of Multiplets: 112
Mon Jul 04 16:47:10.177 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:47:10.225 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:47:10.232 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:47:10.238 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:47:10.374 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:47:10.381 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:47:10.386 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:47:10.390 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:47:10.392 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:47:10.395 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:47:10.431 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:47:10.575 CEST 2022: Elapsed time for evaluation (IN Suite): 0.14 s.
Mon Jul 04 16:47:10.643 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:47:10.999 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:47:11.019 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:11.021 CEST 2022: CMC-q finished in 1.29 s.
