Mon Jul 04 16:14:36.241 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:14:36.243 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D1_OS_Plate09_D1\1\pdata\1
Mon Jul 04 16:14:36.250 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:14:36.254 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:14:36.257 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:14:36.328 CEST 2022: No HSQC data available
Mon Jul 04 16:14:36.341 CEST 2022: No C13 data available
Mon Jul 04 16:14:36.353 CEST 2022: No HMBC data available
Mon Jul 04 16:14:36.360 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:14:36.380 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:14:36.500 CEST 2022: Structure is used: true
Mon Jul 04 16:14:36.517 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D1_OS_Plate09_D1/1/D1_OS_Plate9_D1-73e86674-bc6d-4e9b-b4e8-dfe6f28d85a9.mol
Mon Jul 04 16:14:36.519 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:14:36.531 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:14:36.534 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:14:36.537 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:14:36.539 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:14:36.541 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:14:36.544 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:14:36.546 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:14:36.550 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:14:36.553 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:14:36.555 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:14:36.558 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:14:36.560 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 16:14:36.562 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:14:36.564 CEST 2022: RMSD noise: 29950205.677 (7.766/7.266)
Mon Jul 04 16:14:36.567 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:14:36.570 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:14:36.573 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:14:36.597 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:14:36.699 CEST 2022: Number of Peaks: (98, 7)
Mon Jul 04 16:14:36.702 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:14:36.705 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:14:36.721 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:14:36.723 CEST 2022: Signal-to-Noise ratio: 2087.82 (7.033 ppm)
Mon Jul 04 16:14:36.726 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:14:36.728 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:36.731 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:14:36.757 CEST 2022: Number of Multiplets: 152
Mon Jul 04 16:14:36.760 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:14:36.819 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:14:36.825 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:14:36.844 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:14:37.025 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.18 s.
Mon Jul 04 16:14:37.048 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:14:37.053 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:14:37.057 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:14:37.059 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:14:37.062 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:14:37.074 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:14:37.133 CEST 2022: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon Jul 04 16:14:37.395 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:14:37.763 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.63 s.
Mon Jul 04 16:14:37.766 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:37.769 CEST 2022: CMC-q finished in 1.53 s.
