Mon Jul 04 16:45:04.122 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:45:04.124 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D11_OS_Plate04_D11\1\pdata\1
Mon Jul 04 16:45:04.132 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:45:04.136 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:45:04.138 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:45:04.275 CEST 2022: No HSQC data available
Mon Jul 04 16:45:04.287 CEST 2022: No C13 data available
Mon Jul 04 16:45:04.299 CEST 2022: No HMBC data available
Mon Jul 04 16:45:04.322 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 16:45:04.344 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:45:04.487 CEST 2022: Structure is used: true
Mon Jul 04 16:45:04.505 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D11_OS_Plate04_D11/1/D11_OS_Plate04_D11-2a4d8a79-4c16-4c66-9397-95206699149e.mol
Mon Jul 04 16:45:04.507 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 16:45:04.519 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:45:04.521 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:45:04.525 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:45:04.527 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:45:04.529 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:45:04.532 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:45:04.534 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:45:04.539 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:45:04.541 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:45:04.545 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:45:04.547 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:45:04.549 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 16:45:04.552 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:45:04.554 CEST 2022: RMSD noise: 29044325.360 (-2.860/-3.359)
Mon Jul 04 16:45:04.557 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:45:04.559 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:45:04.563 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:45:04.587 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:45:04.745 CEST 2022: Number of Peaks: (93, 22)
Mon Jul 04 16:45:04.748 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:45:04.751 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:45:04.765 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:45:04.768 CEST 2022: Signal-to-Noise ratio: 2769.22 (1.551 ppm)
Mon Jul 04 16:45:04.770 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:45:04.773 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:04.775 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:45:04.795 CEST 2022: Number of Multiplets: 130
Mon Jul 04 16:45:04.799 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:45:04.861 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:45:04.874 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:45:04.883 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:45:05.033 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:45:05.045 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:45:05.051 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:45:05.055 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:45:05.058 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:05.060 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:45:05.244 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.18 s.
Mon Jul 04 16:45:05.673 CEST 2022: Elapsed time for evaluation (IN Suite): 0.42 s.
Mon Jul 04 16:45:05.727 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:45:06.071 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:45:06.074 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:06.077 CEST 2022: CMC-q finished in 1.96 s.
