Mon Jul 04 16:23:15.796 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:23:15.799 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B10_OS_Plate011_B10\1\pdata\1
Mon Jul 04 16:23:15.807 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:23:15.810 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:23:15.813 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:23:15.840 CEST 2022: No HSQC data available
Mon Jul 04 16:23:15.853 CEST 2022: No C13 data available
Mon Jul 04 16:23:15.865 CEST 2022: No HMBC data available
Mon Jul 04 16:23:15.873 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:23:15.893 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:23:16.037 CEST 2022: Structure is used: true
Mon Jul 04 16:23:16.058 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B10_OS_Plate011_B10/1/B10_OS_Plate11_B10-c18faa66-d0b3-4422-9b7f-3957b99f4454.mol
Mon Jul 04 16:23:16.061 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.17 s.
Mon Jul 04 16:23:16.072 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:23:16.074 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:23:16.077 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:23:16.080 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:23:16.082 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:23:16.084 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:23:16.086 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:23:16.091 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:23:16.093 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:23:16.096 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:23:16.098 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:23:16.101 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 16:23:16.103 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:23:16.105 CEST 2022: RMSD noise: 28106887.724 (-2.860/-3.359)
Mon Jul 04 16:23:16.107 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:23:16.111 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:23:16.115 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:23:16.138 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:23:16.241 CEST 2022: Number of Peaks: (98, 12)
Mon Jul 04 16:23:16.244 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:23:16.247 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:23:16.304 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:23:16.307 CEST 2022: Signal-to-Noise ratio: 564.45 (3.341 ppm)
Mon Jul 04 16:23:16.310 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:23:16.312 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:16.314 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:23:16.341 CEST 2022: Number of Multiplets: 166
Mon Jul 04 16:23:16.344 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:23:16.398 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:23:16.404 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:23:16.415 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:23:16.580 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:23:16.592 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:23:16.597 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:23:16.601 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:23:16.603 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:23:16.606 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:23:16.634 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:23:17.022 CEST 2022: Elapsed time for evaluation (IN Suite): 0.39 s.
Mon Jul 04 16:23:17.144 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:23:17.501 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.48 s.
Mon Jul 04 16:23:17.504 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:17.507 CEST 2022: CMC-q finished in 1.71 s.
