Mon Jul 04 16:21:58.013 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:21:58.016 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G5_OS_Plate011_G5\1\pdata\1
Mon Jul 04 16:21:58.024 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:21:58.028 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:21:58.031 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:21:58.161 CEST 2022: No HSQC data available
Mon Jul 04 16:21:58.173 CEST 2022: No C13 data available
Mon Jul 04 16:21:58.184 CEST 2022: No HMBC data available
Mon Jul 04 16:21:58.191 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:21:58.819 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.63 s.
Mon Jul 04 16:21:58.898 CEST 2022: Structure is used: true
Mon Jul 04 16:21:58.924 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G5_OS_Plate011_G5/1/G5_OS_Plate11_G5-f7edfa8d-edc3-4b03-999b-30f4ed265377.mol
Mon Jul 04 16:21:58.926 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:21:58.933 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:21:58.936 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:21:58.939 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:21:58.941 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:21:58.944 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:21:58.946 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:21:58.949 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:21:58.953 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:21:58.956 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:21:58.959 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:21:58.962 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:21:58.964 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 16:21:58.967 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:21:58.969 CEST 2022: RMSD noise: 30002635.835 (-2.860/-3.359)
Mon Jul 04 16:21:58.972 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:21:58.975 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:21:58.979 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:21:59.003 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:21:59.074 CEST 2022: Number of Peaks: (49, 10)
Mon Jul 04 16:21:59.077 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:21:59.080 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:21:59.164 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.08 s.
Mon Jul 04 16:21:59.167 CEST 2022: Signal-to-Noise ratio: 5362.11 (3.220 ppm)
Mon Jul 04 16:21:59.170 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:21:59.173 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:59.175 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:21:59.186 CEST 2022: Number of Multiplets: 59
Mon Jul 04 16:21:59.189 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:21:59.227 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:21:59.234 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:21:59.239 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:21:59.359 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:21:59.365 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:21:59.370 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:21:59.373 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:21:59.376 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:21:59.379 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:21:59.385 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:21:59.392 CEST 2022: Elapsed time for evaluation (IN Suite): 0.00 s.
Mon Jul 04 16:21:59.443 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:21:59.808 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:21:59.811 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:59.814 CEST 2022: CMC-q finished in 1.80 s.
