Mon Jul 04 16:31:31.007 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:31.010 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A6_OS_Plate02_A6\1\pdata\1
Mon Jul 04 16:31:31.017 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:31.020 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:31.023 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:31.216 CEST 2022: No HSQC data available
Mon Jul 04 16:31:31.230 CEST 2022: No C13 data available
Mon Jul 04 16:31:31.243 CEST 2022: No HMBC data available
Mon Jul 04 16:31:31.254 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:31:31.275 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:31:31.417 CEST 2022: Structure is used: true
Mon Jul 04 16:31:31.420 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A6_OS_Plate02_A6/1/A6_OS_Plate02_A6-4b6bffb7-3677-4fd8-a905-0e63e60f840e.mol
Mon Jul 04 16:31:31.423 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:31:31.497 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:31.500 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.07 s.
Mon Jul 04 16:31:31.503 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:31.505 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:31.508 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:31.510 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:31.513 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:31.519 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:31.522 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:31:31.526 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:31.528 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:31.530 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 16:31:31.533 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:31.536 CEST 2022: RMSD noise: 32258283.606 (6.132/5.632)
Mon Jul 04 16:31:31.538 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:31.541 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:31.555 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:31:31.602 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:31.703 CEST 2022: Number of Peaks: (88, 11)
Mon Jul 04 16:31:31.706 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:31:31.709 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:31.753 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:31:31.756 CEST 2022: Signal-to-Noise ratio: 1886.35 (3.197 ppm)
Mon Jul 04 16:31:31.759 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:31.762 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:31.764 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.34 s.
Mon Jul 04 16:31:31.787 CEST 2022: Number of Multiplets: 150
Mon Jul 04 16:31:31.790 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:31:31.851 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:31:31.857 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:31:31.874 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:31:32.019 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:31:32.028 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:31:32.033 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:32.037 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:31:32.040 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:32.045 CEST 2022: Number of consistent PNS: 30
Mon Jul 04 16:31:32.048 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:31:32.053 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:32.055 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:32.640 CEST 2022: Elapsed time for evaluation (BU Suite): 0.60 s.
Mon Jul 04 16:31:32.699 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:31:32.702 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:31:33.041 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:31:33.044 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:33.047 CEST 2022: CMC-q finished in 2.04 s.
