Mon Jul 04 16:32:31.144 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:32:31.147 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C9_OS_Plate02_C9\1\pdata\1
Mon Jul 04 16:32:31.154 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:32:31.157 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:32:31.160 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:32:31.499 CEST 2022: No HSQC data available
Mon Jul 04 16:32:31.510 CEST 2022: No C13 data available
Mon Jul 04 16:32:31.521 CEST 2022: No HMBC data available
Mon Jul 04 16:32:31.528 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:32:31.761 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.23 s.
Mon Jul 04 16:32:31.843 CEST 2022: Structure is used: true
Mon Jul 04 16:32:31.846 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C9_OS_Plate02_C9/1/C9_OS_Plate02_C9-f03ad370-e86e-4a36-be0c-28ad02f124a9.mol
Mon Jul 04 16:32:31.849 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:32:31.896 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:32:31.898 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.05 s.
Mon Jul 04 16:32:31.904 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:32:31.907 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:32:31.909 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:32:31.912 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:32:31.914 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:32:31.918 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:32:31.921 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:32:31.924 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:32:31.926 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:32:31.928 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 16:32:31.931 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:32:31.933 CEST 2022: RMSD noise: 31635963.116 (-1.222/-1.722)
Mon Jul 04 16:32:31.935 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:32:31.938 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:32:31.942 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:32:31.966 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:32:32.069 CEST 2022: Number of Peaks: (99, 11)
Mon Jul 04 16:32:32.072 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:32:32.075 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:32:32.106 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:32:32.108 CEST 2022: Signal-to-Noise ratio: 846.54 (8.822 ppm)
Mon Jul 04 16:32:32.111 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:32:32.113 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:32.116 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:32:32.143 CEST 2022: Number of Multiplets: 175
Mon Jul 04 16:32:32.145 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:32:32.206 CEST 2022: Number of Peak Cluster: 33
Mon Jul 04 16:32:32.212 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:32:32.228 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:32:32.369 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:32:32.403 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:32:32.407 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:32:32.412 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:32:32.414 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:32.417 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:32:32.477 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Mon Jul 04 16:32:32.661 CEST 2022: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon Jul 04 16:32:32.791 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:32:33.274 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.61 s.
Mon Jul 04 16:32:33.277 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:33.279 CEST 2022: CMC-q finished in 2.13 s.
