We provide SIMPSON2.0 Tcl scripts simulating the amplitudes of z-filter MQMAS experiments versus the duration of the first pulse for sodium-23 (I = 3/2), aluminum-27 (I = 5/2), cobalt-59 (I = 7/2), and bismuth-209 (I = 9/2) nuclei.

Cogwheel phase cycling and nested phase cycling with digitized phase

We compare three SIMPSON2.0 Tcl scripts, two with cogwheel phase cycling parameters, the other with the traditional coherence filtering method. The other NMR parameters are defined in these scripts, where the amplitude in the coherence filtering method has been normalized to the number N of phase cycling.

The corresponding nested phase cycling with digitized phase or reference receiver phase are also given.

These Cogwheel phase cycling parameters are involved in z-filter MQMAS pulse programs for Bruker spectrometers.

• --------------------I = 3/2--------------------
• ±3QMAS: Cog24(0, 4, 19, 7), Cog24(23, 3, 18, 6), and coherence filtering / nested with 24-reference receiver phase
   
• --------------------I = 5/2--------------------
• ±3QMAS: Cog36(0, 6, 29, 11), Cog36(34, 4, 27, 9), and coherence filtering / nested with 36-reference receiver phase
• ±5QMAS: Cog60(0, 6, 17, 47), Cog60(28, 34, 45, 15), and coherence filtering / nested with 60-digitized phase
   
• --------------------I = 7/2--------------------
• ±3QMAS: Cog48(0, 8, 25, 1), Cog48(11, 19, 36, 12), and coherence filtering / nested with 48-digitized phase
• ±5QMAS: Cog80(0, 8, 1, 41), Cog80(59, 67, 60, 20), and coherence filtering / nested with 80-digitized phase
• ±7QMAS: Cog112(0, 8, 1, 57), Cog112(83, 91, 84, 28), and coherence filtering / nested with 112-digitized phase
   
• --------------------I = 9/2-------------------
• ±3QMAS: More than two coherence transfer pathways are selected
• ±5QMAS: Cog100(0, 10, 1, 51), Cog100(74, 84, 75, 25), and coherence filtering / nested with 100-reference receiver phase
• ±7QMAS: Cog140(0, 10, 1, 71), Cog140(104, 114, 105, 35), and coherence filtering / nested with 140-digitized phase
• ±9QMAS: Cog180(0, 10, 1, 91), Cog180(134, 144, 135, 45), and coherence filtering / nested with 180-digitized phase

Nested phase cycling with reference receiver phase

• --------------------I = 3/2--------------------
• ±3QMAS: coherence filtering / nested with 24-reference receiver phase
   
• --------------------I = 5/2--------------------
• ±3QMAS: coherence filtering / nested with 36-reference receiver phase
• ±5QMAS: coherence filtering / nested with 100-reference receiver phase
   
• --------------------I = 7/2--------------------
• ±3QMAS: More than two coherence transfer pathways are selected
• ±5QMAS: coherence filtering / nested with 100-reference receiver phase
• ±7QMAS: coherence filtering / nested with 196-reference receiver phase
   
• --------------------I = 9/2---------------------
• ±3QMAS: More than two coherence transfer pathways are selected
• ±5QMAS: coherence filtering / nested with 100-reference receiver phase
• ±7QMAS: coherence filtering / nested with 196-reference receiver phase
• ±9QMAS: coherence filtering / nested with 324-reference receiver phase