Mon Jul 04 16:45:56.223 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:45:56.225 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D2_OS_Plate05_D2\1\pdata\1
Mon Jul 04 16:45:56.233 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:45:56.237 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:45:56.239 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:45:56.278 CEST 2022: No HSQC data available
Mon Jul 04 16:45:56.290 CEST 2022: No C13 data available
Mon Jul 04 16:45:56.302 CEST 2022: No HMBC data available
Mon Jul 04 16:45:56.316 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:45:56.362 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon Jul 04 16:45:56.505 CEST 2022: Structure is used: true
Mon Jul 04 16:45:56.508 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D2_OS_Plate05_D2/1/2_OS_Plate05_D2.mol
Mon Jul 04 16:45:56.511 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:45:56.526 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:45:56.528 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:45:56.532 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:45:56.534 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:45:56.536 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:45:56.539 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:45:56.542 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:45:56.546 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:45:56.549 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:45:56.552 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:45:56.554 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:45:56.557 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 16:45:56.559 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:45:56.561 CEST 2022: RMSD noise: 29934725.386 (-2.040/-2.540)
Mon Jul 04 16:45:56.564 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:45:56.567 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:45:56.571 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:45:56.594 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:45:56.701 CEST 2022: Number of Peaks: (97, 12)
Mon Jul 04 16:45:56.713 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:45:56.715 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:45:56.728 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:45:56.730 CEST 2022: Signal-to-Noise ratio: 4742.61 (3.014 ppm)
Mon Jul 04 16:45:56.733 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:45:56.736 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:56.738 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:45:56.757 CEST 2022: Number of Multiplets: 142
Mon Jul 04 16:45:56.761 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:45:56.822 CEST 2022: Number of Peak Cluster: 34
Mon Jul 04 16:45:56.828 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:45:56.843 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:45:57.003 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:45:57.021 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:45:57.026 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:45:57.030 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:45:57.033 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:57.036 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:45:57.058 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:45:57.191 CEST 2022: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon Jul 04 16:45:57.241 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:45:57.244 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:45:57.606 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:45:57.609 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:57.612 CEST 2022: CMC-q finished in 1.39 s.
