Mon Jul 04 16:27:11.720 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:27:11.723 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F7_OS_Plate012_F7\1\pdata\1
Mon Jul 04 16:27:11.730 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:27:11.734 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:27:11.736 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:27:11.764 CEST 2022: No HSQC data available
Mon Jul 04 16:27:11.777 CEST 2022: No C13 data available
Mon Jul 04 16:27:11.790 CEST 2022: No HMBC data available
Mon Jul 04 16:27:11.819 CEST 2022: Elapsed time for evaluation (XD Suite): 0.03 s.
Mon Jul 04 16:27:11.853 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon Jul 04 16:27:11.946 CEST 2022: Structure is used: true
Mon Jul 04 16:27:11.949 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F7_OS_Plate012_F7/1/F7_OS_Plate12_F7-670914d8-f459-4932-9035-5904b43d8e52.mol
Mon Jul 04 16:27:11.952 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:27:11.958 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:27:11.961 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:27:11.964 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:27:11.967 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:27:11.969 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:27:11.972 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:27:11.974 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:27:11.979 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:27:11.981 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:27:11.984 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:27:11.986 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:27:11.989 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 16:27:11.991 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:27:11.994 CEST 2022: RMSD noise: 30482713.586 (12.669/12.169)
Mon Jul 04 16:27:11.996 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:27:11.999 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:27:12.003 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:27:12.026 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:27:12.121 CEST 2022: Number of Peaks: (93, 17)
Mon Jul 04 16:27:12.124 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:27:12.127 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:27:12.137 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:27:12.140 CEST 2022: Signal-to-Noise ratio: 2801.38 (1.244 ppm)
Mon Jul 04 16:27:12.143 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:27:12.146 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:27:12.148 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.19 s.
Mon Jul 04 16:27:12.170 CEST 2022: Number of Multiplets: 138
Mon Jul 04 16:27:12.173 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:27:12.226 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:27:12.232 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:27:12.238 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:27:12.386 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:27:12.404 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:27:12.409 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:27:12.414 CEST 2022: Number of consistent PNS: 6
Mon Jul 04 16:27:12.416 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:27:12.419 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:27:12.522 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.10 s.
Mon Jul 04 16:27:12.648 CEST 2022: Elapsed time for evaluation (IN Suite): 0.12 s.
Mon Jul 04 16:27:12.700 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:27:12.703 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:27:13.058 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:27:13.066 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:27:13.069 CEST 2022: CMC-q finished in 1.35 s.
