Module codes ============ H-C HMBC -------- C_HMBC_CF zz-HMBC, as described in doi:10.1039/C8CC03296C, with second-order low-pass J filter. C_HMBC_CFTO Same as above but with a third-order low-pass J filter. Generally should not be needed. C_HMBC_CFG An experimental version -- this does not work and is not likely to ever work! Use at your own risk! C_HMBC_CNF Semi-adiabatic double filter which preserves CH and NH magnetisation, as described in doi:10.1016/j.jmr.2019.106568. C_HMBC_NOF HMBC without the zz-filter. Note that this is not the same as the Bruker `hmbcetgp..` experiments: the gradient scheme here is symmetric, whereas the Bruker experiments have an asymmetric gradient scheme. H-N experiments --------------- N_HMQC Standard HMQC, similar to that originally reported in doi:10.1002/anie.201705506, but gradient scheme has been slightly modified to reduce artefacts in later modules. N_HSQC Standard NOAH HSQC. Not recommended for use as this causes f1 broadening in all subsequent modules, see doi:10.1016/j.jmr.2021.107027 for explanation. N_SEHSQC NOAH seHSQC, 'version 2' / 'ZIP-seHSQC', as described in doi:10.1016/j.jmr.2021.107027. N_SEHSQC_DP NOAH seHSQC, 'version 1', as described in doi:10.1016/j.jmr.2021.107027. Not recommended for use as this causes f1 broadening in all subsequent modules. N_SEHSQC_OR Cavanagh-Rance seHSQC, essentially the same as `hsqcetf3gpsi`. H-C HSQCs --------- C_HSQC Standard NOAH HSQC. C_HSQCJ Standard NOAH HSQC, but without 13C decoupling during acquisition. There is a 90° pulse on 13C before acquisition, which purges antiphase contributions to peaks (i.e. 'CLIP' version). C_SEHSQC NOAH seHSQC, 'version 2' / 'ZIP-seHSQC' as reported in doi:10.1021/acs.analchem.0c05205 and doi:10.1016/j.jmr.2021.107027. C_SEHSQCJ Same as C_SEHSQC but without 13C decoupling during acquitision. C_SEHSQC_DP NOAH seHSQC, 'version 1' as reported in doi:10.1016/j.jmr.2021.107027. Sensitivity is not as good as in 'version 2', hence this is never recommended by default. However, this could be better in specific scenarios as bulk magnetisation is more uniformly preserved over the entire spectral window, where 'version 2' has some regions where performance is quite poorer than average. C_SEHSQC_OR Cavanagh-Rance seHSQC, essentially a mixture of `hsqcetgpsisp2.2` (for the non-edited) and `hsqcedetgpsisp2.3` (for the edited). C_SEHSQCJ_OR Same as C_SEHSQC_OR but without 13C decoupling during acquitision. CI_HSQC Standard NOAH HSQC, but with an additional variable `cnst32` which allows the user to control the amount of C-H magnetisation excited by the INEPT block. Any unexcited magnetisation is returned to +z for use in other modules. See doi:10.1016/j.jmr.2021.107027. CI_HSQCJ Same as C_HSQCJ, but is `cnst32`-compatible. Other H-C experiments --------------------- C_HSQCC 'Triple spin echo' version of HSQC-COSY experiment. Lineshapes are not so good and raw sensitivity is not as high as in the other alternatives, but this module does preserve uncoupled 1H ('bulk') magnetisation for later use (none of the other HSQC-COSY versions do). C_HSQCC_CLIP HSQC-CLIP-COSY as reported in doi:10.1021/acs.analchem.0c04124. This provides excellent lineshapes but dephases bulk magnetisation. C_HSQCC_DSE 'Double spin echo' version of HSQC-COSY experiment. Lineshapes are not so good and bulk magnetisation is also dephased, but this has the greatest raw sensitivity of all the HSQC-COSY versions. C_HSQCT Standard NOAH HSQC with a TOCSY mixing block, as reported in doi:10.1016/j.jmr.2021.107027. This preserves bulk magnetisation. C_SEHSQCT NOAH seHSQC, 'version 2' / 'ZIP-seHSQC' with a TOCSY mixing block, as reported in doi:10.1021/acs.analchem.0c05205. This also preserves bulk magnetisation. C_SEHSQCT_OR Cavanagh-Rance seHSQC with TOCSY mixing block, basically the same as Bruker `hsqcdietgpsisp.2` and `hsqcdiedetgpsisp.3`. This doesn't preserve bulk magnetisation. CI_HSQCC Same as C_HSQCC, but is `cnst32`-compatible. CI_HSQCC_CLIP Same as C_HSQCC_CLIP, but has an additional variable `cnst32` which changes the INEPT delay durations. This is NOT the same as "cnst32-compatible", because even though only a portion of the C-H magnetisation is excited, the unexcited portion is not retained, it is lost by gradient dephasing! This module serves little purpose except to prove that it doesn't work. CI_HSQCC_DSE Same as C_HSQCC_DSE, but has an additional variable `cnst32` which changes the INEPT delay durations. This is NOT "cnst32-compatible", see above for explanation. CI_HSQCT Same as C_HSQCT, but is `cnst32`-compatible. H-H experiments --------------- H_CLIP_COSY CLIP-COSY as reported in doi:10.1002/anie.201510938. H_COSY Standard echo-antiecho COSY, similar to Bruker `cosyetgp`. H_CONO Echo-antiecho COCONOSY module (COSY and NOESY, with COSY FID recorded during the NOE mixing time), as reported in doi:10.1002/anie.201705506. H_CONO_ST States COCONOSY module: this is better for low-viscosity samples (e.g. CDCl3) as diffusion during the mixing time can cause substantial sensitivity losses in the echo-antiecho version. H_COSY_QF Standard magnitude-mode COSY, similar to Bruker `cosygpqf`. H_CORO_ST States COSY + ROESY. The COSY FID is recorded before the ROESY mixing begins. H_COTO Echo-antiecho COSY + TOCSY. The COSY FID is recorded before the TOCSY mixing begins. This is similar to the 'COTO' sequence presented in doi:10.1002/mrc.4835. H_COTO_ST States COSY + TOCSY. H_DQFCOSY States DQF-COSY. H_DQFCOSY_EA Echo-antiecho DQF-COSY. H_JRES Magnitude-mode 2D J-resolved spectrum. H_JRES_PS Absorption-mode 2D J-resolved spectrum, using the PSYCHE element, as reported in doi:10.1039/c5cc06293d. H_NOESY Standard States NOESY, similar to `noesygpphzs`. H_PSYCHE 1D PSYCHE as reported in doi:10.1002/anie.201404111. H_PSYCHE_TSE 1D TSE-PSYCHE as reported in doi:10.1039/c5cc06293d. This provides much better artefact suppression compared to the original PSYCHE method. H_ROESY ROESY with 180/-180 spin-lock as the mixing element; similar to Bruker `roesyetgp.2`. H_ROESY_AD ROESY with adiabatic spin-lock, as reported in doi:10.1002/chem.200802027. H_TOCSY Standard States TOCSY, similar to `dipsi2gpphzs`. Modules specific to time-shared / interleaved work -------------------------------------------------- C_HMBC_CFDD Two interleaved zz-HMBC with 13C filter only (so C_HMBC_CF), but with two different delays for nJ(CH) evolution. The resulting pair of HMBCs have half resolution in the indirect dimension. C_HMBC_CF_K zz-HMBC (C_HMBC_CF) with half the resolution in the indirect dimension and twice the number of scans, so-named because it corresponds to a value of k = 2 in the k-scaling discussed in doi:10.1016/j.jmr.2021.107027. C_HSQCJ_K Same as C_HSQCJ but with k = 2, i.e. half resolution in indirect dimension but twice the number of scans. C_SEHSQCJ_K Same as C_SEHSQCJ but with k = 2, i.e. half resolution in indirect dimension but twice the number of scans. C_SEHSQC_IA Interleaved in-phase and antiphase F2-coupled seHSQC (version 2 / ZIP). CI_HSQCC_IA Interleaved in-phase and antiphase version of CI_HSQCC. These phases refer to the relative phase of the HSQC-COSY, i.e. indirect, peaks and the HSQC, i.e. direct, peaks. When added or subtracted these will yield either only the direct peaks or only the indirect peaks. C_HSQCC_CIA Interleaved in-phase and antiphase version of C_HSQCC_CLIP. C_HSQCC_DIA Interleaved in-phase and antiphase version of C_HSQCC_DSE. C_HSQCC_IA Interleaved in-phase and antiphase version of C_HSQCC. C_HSQCT_IA Interleaved in-phase and antiphase version of C_HSQCT. H_CC_T Interleaved CLIP-COSY and TOCSY. H_R_T Interleaved (adiabatic spin-lock) ROESY and TOCSY. H_TOCSY_K Same as H_TOCSY but with k = 2, i.e. half resolution in indirect dimension but twice the number of scans. H_TT_CN Interleaved double TOCSY and COSY/NOESY. H_TT_CR Interleaved double TOCSY and COSY/(adiabatic) ROESY. H_TT_DM Two interleaved TOCSY modules with different mixing times.