Mon Jul 04 14:32:20.455 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 14:32:20.458 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Concentration Quantification\Plate02\B3_OS_Plate02_B3\1\pdata\1
Mon Jul 04 14:32:20.465 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 14:32:20.469 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 14:32:20.472 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 14:32:20.488 CEST 2022: No HSQC data available
Mon Jul 04 14:32:20.500 CEST 2022: No C13 data available
Mon Jul 04 14:32:20.513 CEST 2022: No HMBC data available
Mon Jul 04 14:32:20.537 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 14:32:20.555 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 14:32:20.656 CEST 2022: Structure is used: true
Mon Jul 04 14:32:20.659 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Concentration Quantification/Plate02/B3_OS_Plate02_B3/1/B3_OS_Plate02_B3-85fba947-fe7b-4ef4-bbaa-71baa624af50.mol
Mon Jul 04 14:32:20.662 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 14:32:20.668 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 14:32:20.670 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 14:32:20.675 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 14:32:20.677 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 14:32:20.680 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 14:32:20.682 CEST 2022: Spectrum is suppressed.
Mon Jul 04 14:32:20.684 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 14:32:20.689 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 14:32:20.691 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 14:32:20.694 CEST 2022: Expected impurity: TMS
Mon Jul 04 14:32:20.697 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 14:32:20.699 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 14:32:20.701 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 14:32:20.704 CEST 2022: RMSD noise: 27612073.355 (-2.860/-3.359)
Mon Jul 04 14:32:20.706 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 14:32:20.709 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 14:32:20.713 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 14:32:20.736 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 14:32:20.857 CEST 2022: Number of Peaks: (106, 16)
Mon Jul 04 14:32:20.880 CEST 2022: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon Jul 04 14:32:20.882 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 14:32:20.897 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 14:32:20.900 CEST 2022: Signal-to-Noise ratio: 3245.52 (0.908 ppm)
Mon Jul 04 14:32:20.903 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 14:32:20.905 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 14:32:20.908 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 14:32:20.944 CEST 2022: Number of Multiplets: 175
Mon Jul 04 14:32:20.947 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 14:32:21.005 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 14:32:21.011 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 14:32:21.023 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 14:32:21.207 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.18 s.
Mon Jul 04 14:32:21.213 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 14:32:21.218 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 14:32:21.221 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 14:32:21.224 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 14:32:21.230 CEST 2022: Number of consistent PNS: 40
Mon Jul 04 14:32:21.233 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 14:32:21.244 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon Jul 04 14:32:21.247 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 14:32:22.213 CEST 2022: Elapsed time for evaluation (BU Suite): 0.99 s.
Mon Jul 04 14:32:22.262 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 14:32:22.265 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 14:32:22.618 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 14:32:22.621 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 14:32:22.624 CEST 2022: CMC-q finished in 2.17 s.
