Mon Jul 04 16:17:10.690 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:17:10.693 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E6_OS_Plate09_E6\1\pdata\1
Mon Jul 04 16:17:10.701 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:17:10.704 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:17:10.707 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:17:10.815 CEST 2022: No HSQC data available
Mon Jul 04 16:17:10.827 CEST 2022: No C13 data available
Mon Jul 04 16:17:10.839 CEST 2022: No HMBC data available
Mon Jul 04 16:17:10.851 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:17:10.870 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:17:10.988 CEST 2022: Structure is used: true
Mon Jul 04 16:17:10.991 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E6_OS_Plate09_E6/1/E6_OS_Plate9_E6-b3d4284a-62bb-4d7c-b314-f53e6fa0aff4.mol
Mon Jul 04 16:17:10.993 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:17:10.999 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:17:11.002 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:17:11.005 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:17:11.008 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:17:11.010 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:17:11.012 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:17:11.015 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:17:11.019 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:17:11.022 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:17:11.025 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:17:11.027 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:17:11.029 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 16:17:11.032 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:17:11.034 CEST 2022: RMSD noise: 27464104.953 (12.669/12.169)
Mon Jul 04 16:17:11.036 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:17:11.040 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:17:11.044 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:17:11.068 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:17:11.164 CEST 2022: Number of Peaks: (82, 9)
Mon Jul 04 16:17:11.192 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:17:11.195 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:17:11.241 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:17:11.244 CEST 2022: Signal-to-Noise ratio: 1868.98 (8.041 ppm)
Mon Jul 04 16:17:11.247 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:17:11.249 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:17:11.251 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:17:11.274 CEST 2022: Number of Multiplets: 149
Mon Jul 04 16:17:11.277 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:17:11.336 CEST 2022: Number of Peak Cluster: 34
Mon Jul 04 16:17:11.341 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:17:11.371 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon Jul 04 16:17:11.497 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:17:11.505 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:17:11.510 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:17:11.515 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:17:11.517 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:17:11.520 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:17:12.444 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.92 s.
Mon Jul 04 16:17:12.543 CEST 2022: Elapsed time for evaluation (IN Suite): 0.09 s.
Mon Jul 04 16:17:12.599 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:17:12.962 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:17:12.965 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:17:12.967 CEST 2022: CMC-q finished in 2.28 s.
