Mon Jul 04 16:53:38.032 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:53:38.034 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D11_OS_Plate06_D11\1\pdata\1
Mon Jul 04 16:53:38.042 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:53:38.045 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:53:38.048 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:53:38.077 CEST 2022: No HSQC data available
Mon Jul 04 16:53:38.086 CEST 2022: No C13 data available
Mon Jul 04 16:53:38.100 CEST 2022: No HMBC data available
Mon Jul 04 16:53:38.126 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:53:38.147 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:53:38.220 CEST 2022: Structure is used: true
Mon Jul 04 16:53:38.223 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D11_OS_Plate06_D11/1/D11_OS_Plate06_D11-7a1cb434-8303-4712-9254-c73bb9c237f7.mol
Mon Jul 04 16:53:38.225 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:53:38.236 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:53:38.239 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:53:38.241 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:53:38.244 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:53:38.246 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:53:38.248 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:53:38.250 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:53:38.254 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:53:38.256 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:53:38.259 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:53:38.262 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:53:38.264 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 16:53:38.266 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:53:38.269 CEST 2022: RMSD noise: 30295337.344 (11.851/11.352)
Mon Jul 04 16:53:38.271 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:53:38.274 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:53:38.278 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:53:38.302 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:53:38.379 CEST 2022: Number of Peaks: (62, 9)
Mon Jul 04 16:53:38.382 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:53:38.384 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:53:38.397 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:53:38.399 CEST 2022: Signal-to-Noise ratio: 11351.74 (3.990 ppm)
Mon Jul 04 16:53:38.402 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:53:38.404 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:53:38.407 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.18 s.
Mon Jul 04 16:53:38.422 CEST 2022: Number of Multiplets: 81
Mon Jul 04 16:53:38.424 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:53:38.467 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:53:38.482 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:53:38.489 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:53:38.605 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:53:38.610 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:53:38.614 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:53:38.618 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:53:38.620 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:53:38.622 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:53:38.725 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.10 s.
Mon Jul 04 16:53:38.764 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 16:53:38.812 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:53:39.139 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.37 s.
Mon Jul 04 16:53:39.142 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:53:39.145 CEST 2022: CMC-q finished in 1.11 s.
