Mon Jul 04 16:47:04.195 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:47:04.198 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G4_OS_Plate05_G4\1\pdata\1
Mon Jul 04 16:47:04.205 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:47:04.209 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:47:04.212 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:47:04.241 CEST 2022: No HSQC data available
Mon Jul 04 16:47:04.252 CEST 2022: No C13 data available
Mon Jul 04 16:47:04.264 CEST 2022: No HMBC data available
Mon Jul 04 16:47:04.271 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:47:04.289 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:47:04.415 CEST 2022: Structure is used: true
Mon Jul 04 16:47:04.432 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G4_OS_Plate05_G4/1/4_OS_Plate05_G4.mol
Mon Jul 04 16:47:04.435 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:47:04.441 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:47:04.444 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:47:04.447 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:47:04.449 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:47:04.452 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:47:04.454 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:47:04.456 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:47:04.461 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:47:04.463 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:47:04.466 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:47:04.468 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:47:04.471 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 16:47:04.473 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:47:04.476 CEST 2022: RMSD noise: 29482730.949 (-2.860/-3.360)
Mon Jul 04 16:47:04.478 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:47:04.481 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:47:04.485 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:47:04.508 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:47:04.631 CEST 2022: Number of Peaks: (111, 20)
Mon Jul 04 16:47:04.634 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:47:04.637 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:47:04.645 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:47:04.647 CEST 2022: Signal-to-Noise ratio: 1801.73 (1.386 ppm)
Mon Jul 04 16:47:04.650 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:47:04.653 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:04.655 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:47:04.683 CEST 2022: Number of Multiplets: 146
Mon Jul 04 16:47:04.685 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:47:04.748 CEST 2022: Number of Peak Cluster: 37
Mon Jul 04 16:47:04.754 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:47:04.762 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:47:04.928 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:47:04.943 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:47:04.948 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:47:04.952 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:47:04.955 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:47:04.958 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:47:05.140 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.18 s.
Mon Jul 04 16:47:05.347 CEST 2022: Elapsed time for evaluation (IN Suite): 0.19 s.
Mon Jul 04 16:47:05.394 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:47:05.745 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:47:05.748 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:05.751 CEST 2022: CMC-q finished in 1.56 s.
