Mon Jul 04 16:24:27.366 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:24:27.369 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F1_OS_Plate012_F1\1\pdata\1
Mon Jul 04 16:24:27.376 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:24:27.380 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:24:27.383 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:24:27.408 CEST 2022: No HSQC data available
Mon Jul 04 16:24:27.419 CEST 2022: No C13 data available
Mon Jul 04 16:24:27.429 CEST 2022: No HMBC data available
Mon Jul 04 16:24:27.437 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:24:27.454 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:24:27.573 CEST 2022: Structure is used: true
Mon Jul 04 16:24:27.591 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F1_OS_Plate012_F1/1/F1_OS_Plate12_F1-458a5da5-9471-4997-8cfb-c2000f55b689.mol
Mon Jul 04 16:24:27.593 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:24:27.599 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:24:27.601 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:24:27.604 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:24:27.607 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:24:27.610 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:24:27.612 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:24:27.615 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:24:27.620 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:24:27.622 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:24:27.625 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:24:27.627 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:24:27.629 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 16:24:27.632 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:24:27.634 CEST 2022: RMSD noise: 30057263.315 (-2.860/-3.359)
Mon Jul 04 16:24:27.636 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:24:27.639 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:24:27.643 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:24:27.667 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:24:27.789 CEST 2022: Number of Peaks: (101, 20)
Mon Jul 04 16:24:27.793 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:24:27.796 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:24:27.815 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:24:27.817 CEST 2022: Signal-to-Noise ratio: 1544.67 (7.314 ppm)
Mon Jul 04 16:24:27.820 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:24:27.822 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:24:27.825 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:24:27.862 CEST 2022: Number of Multiplets: 201
Mon Jul 04 16:24:27.864 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:24:27.924 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:24:27.930 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:24:27.945 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:24:28.126 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.18 s.
Mon Jul 04 16:24:28.139 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:24:28.144 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:24:28.148 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:24:28.151 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:24:28.154 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:24:28.164 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:24:28.381 CEST 2022: Elapsed time for evaluation (IN Suite): 0.21 s.
Mon Jul 04 16:24:28.431 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:24:28.794 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:24:28.814 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:24:28.817 CEST 2022: CMC-q finished in 1.45 s.
