Mon Jul 04 16:31:07.001 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:07.003 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H4_OS_Plate02_H4\1\pdata\1
Mon Jul 04 16:31:07.011 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:07.014 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:07.017 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:07.042 CEST 2022: No HSQC data available
Mon Jul 04 16:31:07.053 CEST 2022: No C13 data available
Mon Jul 04 16:31:07.063 CEST 2022: No HMBC data available
Mon Jul 04 16:31:07.072 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:31:07.088 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:31:07.188 CEST 2022: Structure is used: true
Mon Jul 04 16:31:07.191 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H4_OS_Plate02_H4/1/H4_OS_Plate02_H4-a073f97c-855c-4d42-ae4f-45d0b37e3426.mol
Mon Jul 04 16:31:07.193 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:31:07.199 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:07.202 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:31:07.204 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:07.206 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:07.209 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:07.211 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:07.213 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:07.218 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:07.220 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:31:07.223 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:07.226 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:07.228 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 16:31:07.231 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:07.233 CEST 2022: RMSD noise: 31257704.050 (-2.860/-3.359)
Mon Jul 04 16:31:07.236 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:07.239 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:07.242 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:07.266 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:07.371 CEST 2022: Number of Peaks: (97, 14)
Mon Jul 04 16:31:07.375 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:31:07.377 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:07.459 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.08 s.
Mon Jul 04 16:31:07.462 CEST 2022: Signal-to-Noise ratio: 3440.18 (1.278 ppm)
Mon Jul 04 16:31:07.465 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:07.468 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:07.470 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:31:07.495 CEST 2022: Number of Multiplets: 154
Mon Jul 04 16:31:07.497 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:31:07.565 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 16:31:07.587 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon Jul 04 16:31:07.600 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:31:07.768 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:31:07.775 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:31:07.779 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:07.783 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:31:07.785 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:07.790 CEST 2022: Number of consistent PNS: 30
Mon Jul 04 16:31:07.792 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:07.798 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:07.800 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:08.411 CEST 2022: Elapsed time for evaluation (BU Suite): 0.62 s.
Mon Jul 04 16:31:08.458 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:31:08.460 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:31:08.799 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:31:08.802 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:08.804 CEST 2022: CMC-q finished in 1.80 s.
