Mon Jul 04 16:14:27.561 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:14:27.564 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A1_OS_Plate09_A1\1\pdata\1
Mon Jul 04 16:14:27.571 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:14:27.575 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:14:27.578 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:14:27.735 CEST 2022: No HSQC data available
Mon Jul 04 16:14:27.746 CEST 2022: No C13 data available
Mon Jul 04 16:14:27.756 CEST 2022: No HMBC data available
Mon Jul 04 16:14:27.763 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:14:27.787 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:14:27.888 CEST 2022: Structure is used: true
Mon Jul 04 16:14:27.892 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A1_OS_Plate09_A1/1/A1_OS_Plate9_A1-afc1f21e-6941-4654-9f1b-8428d0a4a4de.mol
Mon Jul 04 16:14:27.894 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:14:27.905 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:14:27.907 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:14:27.910 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:14:27.912 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:14:27.915 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:14:27.917 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:14:27.920 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:14:27.924 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:14:27.927 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:14:27.931 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:14:27.933 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:14:27.935 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 16:14:27.938 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:14:27.940 CEST 2022: RMSD noise: 30184604.967 (11.034/10.534)
Mon Jul 04 16:14:27.942 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:14:27.945 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:14:27.949 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:14:27.973 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:14:28.065 CEST 2022: Number of Peaks: (87, 7)
Mon Jul 04 16:14:28.069 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:14:28.071 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:14:28.119 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:14:28.122 CEST 2022: Signal-to-Noise ratio: 1889.31 (8.230 ppm)
Mon Jul 04 16:14:28.125 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:14:28.127 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:28.129 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:14:28.154 CEST 2022: Number of Multiplets: 155
Mon Jul 04 16:14:28.157 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:14:28.210 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:14:28.216 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:14:28.267 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon Jul 04 16:14:28.423 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:14:28.449 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:14:28.454 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:14:28.457 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:14:28.460 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:14:28.466 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:14:28.547 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon Jul 04 16:14:28.962 CEST 2022: Elapsed time for evaluation (IN Suite): 0.41 s.
Mon Jul 04 16:14:29.641 CEST 2022: Elapsed time for evaluation (BU Suite): 0.68 s.
Mon Jul 04 16:14:29.690 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:14:29.693 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:14:30.031 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:14:30.034 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:30.036 CEST 2022: CMC-q finished in 2.48 s.
