Mon Jul 04 16:31:57.705 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:57.707 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E7_OS_Plate02_E7\1\pdata\1
Mon Jul 04 16:31:57.714 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:57.718 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:57.721 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:57.764 CEST 2022: No HSQC data available
Mon Jul 04 16:31:57.774 CEST 2022: No C13 data available
Mon Jul 04 16:31:57.785 CEST 2022: No HMBC data available
Mon Jul 04 16:31:57.792 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:31:57.813 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:31:57.912 CEST 2022: Structure is used: true
Mon Jul 04 16:31:57.933 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E7_OS_Plate02_E7/1/E7_OS_Plate02_E7-6f6e682b-6370-4a42-b5eb-24b0daef532f.mol
Mon Jul 04 16:31:57.935 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:31:57.959 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:57.961 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:31:57.964 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:57.967 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:57.969 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:57.972 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:57.974 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:57.979 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:57.982 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:31:57.985 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:57.987 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:57.990 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 16:31:57.992 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:57.994 CEST 2022: RMSD noise: 30381701.449 (9.400/8.900)
Mon Jul 04 16:31:57.997 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:58.000 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:58.004 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:58.028 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:58.104 CEST 2022: Number of Peaks: (59, 14)
Mon Jul 04 16:31:58.107 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:31:58.110 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:58.123 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:31:58.126 CEST 2022: Signal-to-Noise ratio: 1193.04 (7.625 ppm)
Mon Jul 04 16:31:58.128 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:58.131 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:58.133 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:31:58.148 CEST 2022: Number of Multiplets: 114
Mon Jul 04 16:31:58.151 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:31:58.189 CEST 2022: Number of Peak Cluster: 25
Mon Jul 04 16:31:58.195 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:31:58.207 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:31:58.331 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:31:58.342 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:31:58.346 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:58.351 CEST 2022: Number of consistent PNS: 6
Mon Jul 04 16:31:58.353 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:58.356 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:58.405 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 16:31:58.521 CEST 2022: Elapsed time for evaluation (IN Suite): 0.10 s.
Mon Jul 04 16:31:58.574 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:31:58.935 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:31:58.938 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:58.941 CEST 2022: CMC-q finished in 1.24 s.
