Mon Jul 04 16:31:59.415 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:59.417 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F7_OS_Plate02_F7\1\pdata\1
Mon Jul 04 16:31:59.425 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:59.428 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:59.431 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:59.459 CEST 2022: No HSQC data available
Mon Jul 04 16:31:59.471 CEST 2022: No C13 data available
Mon Jul 04 16:31:59.483 CEST 2022: No HMBC data available
Mon Jul 04 16:31:59.491 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:31:59.512 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:31:59.620 CEST 2022: Structure is used: true
Mon Jul 04 16:31:59.639 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F7_OS_Plate02_F7/1/F7_OS_Plate02_F7-52422430-bbb4-4b77-9474-180f365c3b6e.mol
Mon Jul 04 16:31:59.641 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:31:59.652 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:59.655 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:31:59.658 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:59.660 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:59.662 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:59.664 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:59.667 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:59.672 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:59.674 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:31:59.677 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:59.679 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:59.681 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 16:31:59.684 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:59.686 CEST 2022: RMSD noise: 30317288.317 (9.400/8.900)
Mon Jul 04 16:31:59.688 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:59.691 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:59.695 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:59.719 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:59.811 CEST 2022: Number of Peaks: (73, 20)
Mon Jul 04 16:31:59.814 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:31:59.816 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:59.830 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:31:59.832 CEST 2022: Signal-to-Noise ratio: 1725.83 (6.730 ppm)
Mon Jul 04 16:31:59.835 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:59.837 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:59.840 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:31:59.855 CEST 2022: Number of Multiplets: 119
Mon Jul 04 16:31:59.857 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:32:00.055 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:32:00.061 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.20 s.
Mon Jul 04 16:32:00.072 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:32:00.197 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:32:00.203 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:32:00.208 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:32:00.212 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:32:00.214 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:00.219 CEST 2022: Number of consistent PNS: 25
Mon Jul 04 16:32:00.222 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:32:00.226 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:32:00.228 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:00.748 CEST 2022: Elapsed time for evaluation (BU Suite): 0.53 s.
Mon Jul 04 16:32:00.815 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:32:00.818 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:32:01.174 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:32:01.198 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:32:01.200 CEST 2022: CMC-q finished in 1.79 s.
