Mon Jul 04 16:21:04.653 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:21:04.656 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F3_OS_Plate011_F3\1\pdata\1
Mon Jul 04 16:21:04.663 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:21:04.667 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:21:04.670 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:21:04.703 CEST 2022: No HSQC data available
Mon Jul 04 16:21:04.717 CEST 2022: No C13 data available
Mon Jul 04 16:21:04.731 CEST 2022: No HMBC data available
Mon Jul 04 16:21:04.738 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:21:04.756 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:21:04.887 CEST 2022: Structure is used: true
Mon Jul 04 16:21:04.904 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F3_OS_Plate011_F3/1/F3_OS_Plate11_F3-f69f48a4-e9e1-4528-aef1-11a44852aea1.mol
Mon Jul 04 16:21:04.907 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:21:04.913 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:21:04.916 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:21:04.918 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:21:04.921 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:21:04.923 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:21:04.926 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:21:04.928 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:21:04.933 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:21:04.935 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:21:04.938 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:21:04.941 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:21:04.943 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 16:21:04.946 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:21:04.948 CEST 2022: RMSD noise: 28560527.804 (12.669/12.169)
Mon Jul 04 16:21:04.951 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:21:04.954 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:21:04.958 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:21:04.981 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:21:05.074 CEST 2022: Number of Peaks: (97, 17)
Mon Jul 04 16:21:05.077 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:21:05.080 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:21:05.117 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:21:05.120 CEST 2022: Signal-to-Noise ratio: 2632.77 (1.161 ppm)
Mon Jul 04 16:21:05.123 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:21:05.125 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:05.128 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:21:05.148 CEST 2022: Number of Multiplets: 149
Mon Jul 04 16:21:05.151 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:21:05.209 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 16:21:05.215 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:21:05.223 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:21:05.373 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:21:05.378 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:21:05.383 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:21:05.389 CEST 2022: Number of consistent PNS: 7
Mon Jul 04 16:21:05.392 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:21:05.395 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:21:08.898 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 3.50 s.
Mon Jul 04 16:21:09.429 CEST 2022: Elapsed time for evaluation (IN Suite): 0.51 s.
Mon Jul 04 16:21:09.904 CEST 2022: Elapsed time for evaluation (BU Suite): 0.47 s.
Mon Jul 04 16:21:09.954 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:21:09.956 CEST 2022: INCONSISTENT: Only invalid AssignmentSolutions.
Mon Jul 04 16:21:10.311 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:21:10.314 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:10.316 CEST 2022: CMC-q finished in 5.66 s.
