Mon Jul 04 16:18:01.350 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:18:01.353 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D8_OS_Plate09_D8\1\pdata\1
Mon Jul 04 16:18:01.360 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:18:01.363 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:18:01.366 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:18:01.489 CEST 2022: No HSQC data available
Mon Jul 04 16:18:01.502 CEST 2022: No C13 data available
Mon Jul 04 16:18:01.514 CEST 2022: No HMBC data available
Mon Jul 04 16:18:01.521 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:18:01.542 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:18:01.661 CEST 2022: Structure is used: true
Mon Jul 04 16:18:01.678 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D8_OS_Plate09_D8/1/D8_OS_Plate9_D8-3c981cff-779f-4ece-ac69-ad96815b8b0c.mol
Mon Jul 04 16:18:01.681 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:18:01.691 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:18:01.694 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:18:01.697 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:18:01.700 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:18:01.702 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:18:01.705 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:18:01.707 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:18:01.712 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:18:01.714 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:18:01.717 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:18:01.720 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:18:01.722 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 16:18:01.724 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:18:01.727 CEST 2022: RMSD noise: 29760233.043 (12.669/12.169)
Mon Jul 04 16:18:01.729 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:18:01.732 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:18:01.736 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:18:01.759 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:18:01.829 CEST 2022: Number of Peaks: (58, 11)
Mon Jul 04 16:18:01.832 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:18:01.893 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:18:01.922 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:18:01.925 CEST 2022: Signal-to-Noise ratio: 11499.00 (1.141 ppm)
Mon Jul 04 16:18:01.927 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:18:01.930 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:18:01.932 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:18:01.942 CEST 2022: Number of Multiplets: 60
Mon Jul 04 16:18:01.944 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:18:02.102 CEST 2022: Number of Peak Cluster: 26
Mon Jul 04 16:18:02.109 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon Jul 04 16:18:02.116 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:18:02.239 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:18:02.245 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:18:02.249 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:18:02.252 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:18:02.255 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:18:02.258 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:18:02.261 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:18:02.264 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:18:02.266 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:18:02.560 CEST 2022: Elapsed time for evaluation (BU Suite): 0.30 s.
Mon Jul 04 16:18:02.607 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:18:02.610 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:18:02.947 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:18:02.950 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:18:02.953 CEST 2022: CMC-q finished in 1.60 s.
