Mon Jul 04 16:45:11.135 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:45:11.137 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F11_OS_Plate04_F11\1\pdata\1
Mon Jul 04 16:45:11.144 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:45:11.148 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:45:11.151 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:45:11.248 CEST 2022: No HSQC data available
Mon Jul 04 16:45:11.259 CEST 2022: No C13 data available
Mon Jul 04 16:45:11.270 CEST 2022: No HMBC data available
Mon Jul 04 16:45:11.277 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:45:11.299 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:45:11.387 CEST 2022: Structure is used: true
Mon Jul 04 16:45:11.405 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F11_OS_Plate04_F11/1/F11_OS_Plate04_F11-ca653d29-813e-426b-b2b4-cefa5d4726d0.mol
Mon Jul 04 16:45:11.408 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:45:12.097 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:45:12.099 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.69 s.
Mon Jul 04 16:45:12.103 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:45:12.105 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:45:12.108 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:45:12.110 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:45:12.113 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:45:12.117 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:45:12.120 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:45:12.122 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:45:12.125 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:45:12.127 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 16:45:12.129 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:45:12.132 CEST 2022: RMSD noise: 28792572.942 (-2.860/-3.359)
Mon Jul 04 16:45:12.134 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:45:12.137 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:45:12.140 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:45:12.164 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:45:12.249 CEST 2022: Number of Peaks: (67, 17)
Mon Jul 04 16:45:12.252 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:45:12.254 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:45:12.308 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:45:12.311 CEST 2022: Signal-to-Noise ratio: 4026.56 (3.447 ppm)
Mon Jul 04 16:45:12.314 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:45:12.316 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:12.318 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.91 s.
Mon Jul 04 16:45:12.332 CEST 2022: Number of Multiplets: 90
Mon Jul 04 16:45:12.335 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:45:12.377 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:45:12.383 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:45:12.387 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:45:12.515 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:45:12.519 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:45:12.524 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:45:12.527 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:45:12.530 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:12.534 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:45:12.536 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:12.538 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:45:12.541 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:13.158 CEST 2022: Elapsed time for evaluation (BU Suite): 0.63 s.
Mon Jul 04 16:45:13.226 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:45:13.229 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:45:13.566 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:45:13.569 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:13.571 CEST 2022: CMC-q finished in 2.44 s.
