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Update the documentation to Docusaurus 3.0
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2 changes: 1 addition & 1 deletion website/docs/examples/binding.md
Original file line number Diff line number Diff line change
Expand Up @@ -32,7 +32,7 @@ step, the major purpose is to obtain residue-specific parameters.

Further analysis of the fitting results can be carried out with the aid of
additional functions in ChemEx (refer to
[`Plotting best-fit parameters`](user_guide/additional_modules.md#plotting-best-fit-parameters)
[`Plotting best-fit parameters`](user_guide/additional_modules.mdx#plotting-best-fit-parameters)
subsection). During the whole fitting process K<sub>d</sub> is fixed to the
value obtained from ITC experiments, more details about this example can be
found in the reference.[^1]
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File renamed without changes.
40 changes: 20 additions & 20 deletions website/docs/experiments/cest/cest_13c.md
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Expand Up @@ -17,32 +17,32 @@ CEST block. This keeps the spin system purely in-phase throughout, and is
calculated using the (3n)×(3n), single-spin matrix, where n is the number of
states:

{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... }
\{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... \}

## References

- P. Vallurupalli, G. Bouvignies, and L.E. Kay. _ChemBioChem_ **14**, 1709-1713
(2014)
- G. Bouvignies, P. Vallurupalli, and L.E. Kay. _J. Mol. Biol._ **426**, 763-774
(2014)
- P. Vallurupalli, and L.E. Kay. _Angew. Chem. Int. Ed._ **52**, 4156-4159
(2013)
- D.F. Hansen, G. Bouvignies, and L.E. Kay. _J. Biomol. NMR_ **55**, 279-289
(2013)
- G. Bouvignies, and L.E. Kay. _J. Biomol. NMR_ **53**, 303-310 (2012)
- E. Rennella, R. Huang, A. Velyvis, and L.E. Kay. _J. Biomol. NMR_ **63**,
187-199 (2015)
- P. Vallurupalli, G. Bouvignies, and L.E. Kay. _ChemBioChem_ **14**, 1709-1713
(2014)
- G. Bouvignies, P. Vallurupalli, and L.E. Kay. _J. Mol. Biol._ **426**, 763-774
(2014)
- P. Vallurupalli, and L.E. Kay. _Angew. Chem. Int. Ed._ **52**, 4156-4159
(2013)
- D.F. Hansen, G. Bouvignies, and L.E. Kay. _J. Biomol. NMR_ **55**, 279-289
(2013)
- G. Bouvignies, and L.E. Kay. _J. Biomol. NMR_ **53**, 303-310 (2012)
- E. Rennella, R. Huang, A. Velyvis, and L.E. Kay. _J. Biomol. NMR_ **63**,
187-199 (2015)

## Example

- An example for studying side-chain methyl groups in selectively ¹³C-labeled
sample is available
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CEST_13C/).
- An example for studying
[uniformly ¹³C, ¹⁵N-labeled sample](../../examples/cest_13c_15n.md) is
available
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CEST_13C_LABEL_CN/).
- An example for studying side-chain methyl groups in selectively ¹³C-labeled
sample is available
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CEST_13C/).
- An example for studying
[uniformly ¹³C, ¹⁵N-labeled sample](../../examples/cest_13c_15n.md) is
available
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CEST_13C_LABEL_CN/).

## Sample configuration file

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20 changes: 10 additions & 10 deletions website/docs/experiments/cest/cest_15n.md
Original file line number Diff line number Diff line change
Expand Up @@ -17,22 +17,22 @@ CEST block. This keeps the spin system purely in-phase throughout, and is
calculated using the (3n)×(3n), single-spin matrix, where n is the number of
states:

{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... }
\{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... \}

## Reference

- P. Vallurupalli, G. Bouvignies, and L.E. Kay. _J. Am. Chem. Soc._ **134**,
8148-8161 (2012)
- P. Vallurupalli, G. Bouvignies, and L.E. Kay. _J. Am. Chem. Soc._ **134**,
8148-8161 (2012)

## Examples

- An example for studying ¹⁵N-labeled sample is available
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CEST_15N/).
- An example for studying
[uniformly ¹³C, ¹⁵N-labeled sample](../../examples/cest_13c_15n.md) is
available
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CEST_15N_LABEL_CN/).
- An example for studying ¹⁵N-labeled sample is available
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CEST_15N/).
- An example for studying
[uniformly ¹³C, ¹⁵N-labeled sample](../../examples/cest_13c_15n.md) is
available
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CEST_15N_LABEL_CN/).

## Sample configuration file

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6 changes: 3 additions & 3 deletions website/docs/experiments/cest/cest_15n_cw.md
Original file line number Diff line number Diff line change
Expand Up @@ -16,14 +16,14 @@ Analyzes chemical exchange in the presence of ¹H CW decoupling during the CEST
block. Magnetization evolution is calculated using the (15n)×(15n), two-spin
matrix, where n is the number of states:

{ Ix(a), Iy(a), Iz(a), Sx(a), IxSx(a), IySx(a), IzSx(a),
\{ Ix(a), Iy(a), Iz(a), Sx(a), IxSx(a), IySx(a), IzSx(a),
Sy(a), IxSy(a), IySy(a), IzSy(a), Sz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), Sx(b), IxSx(b), IySx(b), IzSx(b),
Sy(b), IxSy(b), IySy(b), IzSy(b), Sz(b), IxSz(b), IySz(b), IzSz(b), ... }
Sy(b), IxSy(b), IySy(b), IzSy(b), Sz(b), IxSz(b), IySz(b), IzSz(b), ... \}

## Reference

- G. Bouvignies, and L.E. Kay. _J. Phys. Chem. B_ **116**, 14311-14317 (2012)
- G. Bouvignies, and L.E. Kay. _J. Phys. Chem. B_ **116**, 14311-14317 (2012)

## Example

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8 changes: 4 additions & 4 deletions website/docs/experiments/cest/cest_15n_tr.md
Original file line number Diff line number Diff line change
Expand Up @@ -16,13 +16,13 @@ Analyzes chemical exchange during the CEST block. Magnetization evolution is
calculated using the (6n)×(6n), two-spin matrix, where n is the number of
states:

{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... }
\{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... \}

## Reference

- D. Long, G. Bouvignies, and L.E. Kay. _Proc. Natl. Acad. Sci. USA_ **111**,
8820-8825 (2014)
- D. Long, G. Bouvignies, and L.E. Kay. _Proc. Natl. Acad. Sci. USA_ **111**,
8820-8825 (2014)

## Example

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8 changes: 4 additions & 4 deletions website/docs/experiments/cest/cest_1hn_ap.md
Original file line number Diff line number Diff line change
Expand Up @@ -16,13 +16,13 @@ Analyzes chemical exchange during the CEST block. Magnetization evolution is
calculated using the (6n)×(6n), two-spin matrix, where n is the number of
states:

{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... }
\{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... \}

## Reference

- A. Sekhar, R. Rosenzweig, G. Bouvignies, and L.E. Kay. _Proc. Natl. Acad. Sci.
USA_ **113**, E2794-E2801 (2016)
- A. Sekhar, R. Rosenzweig, G. Bouvignies, and L.E. Kay. _Proc. Natl. Acad. Sci.
USA_ **113**, E2794-E2801 (2016)

## Example

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12 changes: 6 additions & 6 deletions website/docs/experiments/cest/cest_1hn_ip_ap.md
Original file line number Diff line number Diff line change
Expand Up @@ -16,15 +16,15 @@ Analyzes chemical exchange during the CEST block. Magnetization evolution is
calculated using the (6n)×(6n), two-spin matrix, where n is the number of
states:

{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... }
\{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... \}

## References

- T. Yuwen, A. Sekhar, and L.E. Kay. _Angew. Chem. Int. Ed._ **56**, 6122-6125
(2017)
- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **67**, 295-307 (2017)
- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **70**, 93-102 (2018)
- T. Yuwen, A. Sekhar, and L.E. Kay. _Angew. Chem. Int. Ed._ **56**, 6122-6125
(2017)
- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **67**, 295-307 (2017)
- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **70**, 93-102 (2018)

## Example

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8 changes: 4 additions & 4 deletions website/docs/experiments/cest/cest_ch3_1h_ip_ap.md
Original file line number Diff line number Diff line change
Expand Up @@ -16,8 +16,8 @@ Analyzes chemical exchange during the CEST block. Magnetization evolution is
calculated using the (6n)×(6n), two-spin matrix, where n is the number of
states:

{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... }
\{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... \}

:::note

Expand All @@ -27,8 +27,8 @@ The same module works for both ¹³CH₃- and ¹³CHD₂-labeled methyl groups.

## References

- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **68**, 215-224 (2017)
- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **70**, 93-102 (2018)
- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **68**, 215-224 (2017)
- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **70**, 93-102 (2018)

## Example

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File renamed without changes.
10 changes: 5 additions & 5 deletions website/docs/experiments/cpmg/cpmg_13c_ip.md
Original file line number Diff line number Diff line change
Expand Up @@ -17,18 +17,18 @@ during the CPMG block. This keeps the spin system purely in-phase throughout,
and is calculated using the (3n)×(3n), single-spin matrix, where n is the number
of states:

{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... }
\{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... \}

The CW decoupling on ¹H is assumed to be strong enough (> 15 kHz) such that
perfect ¹H decoupling can be achieved. In the case of CHD2 experiment, CW
decoupling on 2H should be applied properly.

## References

- D.F. Hansen, P. Vallurupalli, Lundström, Neudecker, and L.E. Kay. _J. Am.
Chem. Soc._ **130**, 2667-2675 (2008)
- E. Rennella, Schuetz, and L.E. Kay. _J. Biomol. NMR_ **65**, 59-64 (2016)
- D.F. Hansen, P. Vallurupalli, Lundström, Neudecker, and L.E. Kay. _J. Am.
Chem. Soc._ **130**, 2667-2675 (2008)
- E. Rennella, Schuetz, and L.E. Kay. _J. Biomol. NMR_ **65**, 59-64 (2016)

## Example

Expand Down
6 changes: 3 additions & 3 deletions website/docs/experiments/cpmg/cpmg_13co_ap.md
Original file line number Diff line number Diff line change
Expand Up @@ -17,8 +17,8 @@ magnetization throughout the CPMG block. This results in lower intrinsic
relaxation rates and therefore better sensitivity. The calculations use a
(6n)×(6n), two-spin matrix, where n is the number of states:

{ COx(a), COy(a), COz(a), 2COxNz(a), 2COyNz(a), 2COzNz(a),
COx(b), COy(b), COz(b), 2COxNz(b), 2COyNz(b), 2COzNz(b), ... }
\{ COx(a), COy(a), COz(a), 2COxNz(a), 2COyNz(a), 2COzNz(a),
COx(b), COy(b), COz(b), 2COxNz(b), 2COyNz(b), 2COzNz(b), ... \}

Because of the length of the shaped pulses used during the CPMG blocks,
off-resonance effects are taken into account only for the 90-degree pulses that
Expand All @@ -29,7 +29,7 @@ the "refocusing" flag, with such option ncyc_cp should be set as even.

# Reference:

- Lundström, D.F. Hansen, and L.E. Kay. _J. Biomol. NMR_ **42**, 35-47 (2008)
- Lundström, D.F. Hansen, and L.E. Kay. _J. Biomol. NMR_ **42**, 35-47 (2008)

## Example

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8 changes: 4 additions & 4 deletions website/docs/experiments/cpmg/cpmg_15n_ip.md
Original file line number Diff line number Diff line change
Expand Up @@ -17,16 +17,16 @@ during the CPMG block. This keeps the spin system purely in-phase throughout,
and is calculated using the (3n)×(3n), single-spin matrix, where n is the number
of states:

{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... }
\{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... \}

The CW decoupling on ¹H is assumed to be strong enough (> 15 kHz) such that
perfect ¹H decoupling can be achieved.

## Reference

- D.F. Hansen, P. Vallurupalli, and L.E. Kay. **J. Phys. Chem. B** **112**,
5898-5904 (2008)
- D.F. Hansen, P. Vallurupalli, and L.E. Kay. **J. Phys. Chem. B** **112**,
5898-5904 (2008)

## Example

Expand Down
8 changes: 4 additions & 4 deletions website/docs/experiments/cpmg/cpmg_15n_ip_0013.md
Original file line number Diff line number Diff line change
Expand Up @@ -17,17 +17,17 @@ during the CPMG block. This keeps the spin system purely in-phase throughout,
and is calculated using the (3n)×(3n), single-spin matrix, where n is the number
of states:

{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... }
\{ Ix(a), Iy(a), Iz(a),
Ix(b), Iy(b), Iz(b), ... \}

This version is modified such that CPMG pulses are applied with [0013] phase
cycle as shown in Daiwen's paper. The CW decoupling on ¹H is assumed to be
strong enough (> 15 kHz) such that perfect ¹H decoupling can be achieved.

## Reference

- B. Jiang, B. Yu, X. Zhang, M. Liu, and D. Yang. _J. Magn. Reson._ **257**, 1-7
(2015)
- B. Jiang, B. Yu, X. Zhang, M. Liu, and D. Yang. _J. Magn. Reson._ **257**, 1-7
(2015)

## Example

Expand Down
20 changes: 10 additions & 10 deletions website/docs/experiments/cpmg/cpmg_15n_tr.md
Original file line number Diff line number Diff line change
Expand Up @@ -18,22 +18,22 @@ exchange dynamics. Resulting magnetization intensity after the CPMG block is
calculated using the (6n)×(6n), two-spin matrix, where n is the number of
states:

{ Nx(a), Ny(a), Nz(a), 2HzNx(a), 2HzNy(a), 2HzNz(a),
Nx(b), Ny(b), Nz(b), 2HzNx(b), 2HzNy(b), 2HzNz(b), ... }
\{ Nx(a), Ny(a), Nz(a), 2HzNx(a), 2HzNy(a), 2HzNz(a),
Nx(b), Ny(b), Nz(b), 2HzNx(b), 2HzNy(b), 2HzNz(b), ... \}

## Reference

- P. Vallurupalli, D.F. Hansen, E. Stollar, E. Meirovitch, and L.E. Kay. _Proc.
Natl. Acad. Sci. USA_ **104**, 18473-18477 (2007)
- P. Vallurupalli, D.F. Hansen, E. Stollar, E. Meirovitch, and L.E. Kay. _Proc.
Natl. Acad. Sci. USA_ **104**, 18473-18477 (2007)

## Examples

- An example use of the module is given
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CPMG_15N_TR/).
- An example use of the module in the context of
[RDC measurement of a protein minor, short-lived state](../../examples/trosy_cpmg_rdc.md)
can be found
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Combinations/N15_NH_RDC/).
- An example use of the module is given
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Experiments/CPMG_15N_TR/).
- An example use of the module in the context of
[RDC measurement of a protein minor, short-lived state](../../examples/trosy_cpmg_rdc.md)
can be found
[here](https://github.com/gbouvignies/chemex/tree/master/examples/Combinations/N15_NH_RDC/).

## Sample configuration file

Expand Down
10 changes: 5 additions & 5 deletions website/docs/experiments/cpmg/cpmg_15n_tr_0013.md
Original file line number Diff line number Diff line change
Expand Up @@ -18,17 +18,17 @@ exchange dynamics. Resulting magnetization intensity after the CPMG block is
calculated using the (6n)×(6n), two-spin matrix, where n is the number of
states:

{ Nx(a), Ny(a), Nz(a), 2HzNx(a), 2HzNy(a), 2HzNz(a),
Nx(b), Ny(b), Nz(b), 2HzNx(b), 2HzNy(b), 2HzNz(b), ... }
\{ Nx(a), Ny(a), Nz(a), 2HzNx(a), 2HzNy(a), 2HzNz(a),
Nx(b), Ny(b), Nz(b), 2HzNx(b), 2HzNy(b), 2HzNz(b), ... \}

This version is modified such that CPMG pulses are applied with [0013] phase
cycle as used in ¹⁵N pure in-phase experiments.

## References

- Jiang, Yu, Zhang, Liu, and Yang. J Magn Reson **257**, 1-7 (2015)
- P. Vallurupalli, D.F. Hansen, E. Stollar, E. Meirovitch, and L.E. Kay. _Proc.
Natl. Acad. Sci. USA_ **104**, 18473-18477 (2007)
- Jiang, Yu, Zhang, Liu, and Yang. J Magn Reson **257**, 1-7 (2015)
- P. Vallurupalli, D.F. Hansen, E. Stollar, E. Meirovitch, and L.E. Kay. _Proc.
Natl. Acad. Sci. USA_ **104**, 18473-18477 (2007)

## Example

Expand Down
6 changes: 3 additions & 3 deletions website/docs/experiments/cpmg/cpmg_1hn_ap.md
Original file line number Diff line number Diff line change
Expand Up @@ -17,14 +17,14 @@ magnetization throughout the CPMG block. This results in lower intrinsic
relaxation rates and therefore better sensitivity. The calculations use a
(6n)×(6n), two-spin matrix, where n is the number of states:

{ Hx(a), Hy(a), Hz(a), 2HxNz(a), 2HyNz(a), 2HzNz(a),
Hx(b), Hy(b), Hz(b), 2HxNz(b), 2HyNz(b), 2HzNz(b), ... }
\{ Hx(a), Hy(a), Hz(a), 2HxNz(a), 2HyNz(a), 2HzNz(a),
Hx(b), Hy(b), Hz(b), 2HxNz(b), 2HyNz(b), 2HzNz(b), ... \}

## Reference

Adapted from:

- Ishima, and Torshia. _J. Biomol. NMR_ **25**, 243-248 (2003)
- Ishima, and Torshia. _J. Biomol. NMR_ **25**, 243-248 (2003)

## Example

Expand Down
6 changes: 3 additions & 3 deletions website/docs/experiments/cpmg/cpmg_1hn_ap_0013.md
Original file line number Diff line number Diff line change
Expand Up @@ -17,15 +17,15 @@ magnetization throughout the CPMG block. This results in lower intrinsic
relaxation rates and therefore better sensitivity. The calculations use the
(6n)×(6n), two-spin matrix, where n is the number of states:

{ Hx(a), Hy(a), Hz(a), 2HxNz(a), 2HyNz(a), 2HzNz(a),
Hx(b), Hy(b), Hz(b), 2HxNz(b), 2HyNz(b), 2HzNz(b), ... }
\{ Hx(a), Hy(a), Hz(a), 2HxNz(a), 2HyNz(a), 2HzNz(a),
Hx(b), Hy(b), Hz(b), 2HxNz(b), 2HyNz(b), 2HzNz(b), ... \}

This version is modified such that CPMG pulses are applied with [0013] phase
cycle to help better overcome off-resonance effects.

## Reference

- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **73**, 641-650 (2019)
- T. Yuwen, and L.E. Kay. _J. Biomol. NMR_ **73**, 641-650 (2019)

## Example

Expand Down
8 changes: 4 additions & 4 deletions website/docs/experiments/cpmg/cpmg_ch3_13c_h2c.md
Original file line number Diff line number Diff line change
Expand Up @@ -19,13 +19,13 @@ even ncyc should be recorded. Resulting magnetization intensity after the CPMG
block is calculated using the (6n)×(6n), two-spin matrix, where n is the number
of states:

{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... }
\{ Ix(a), Iy(a), Iz(a), IxSz(a), IySz(a), IzSz(a),
Ix(b), Iy(b), Iz(b), IxSz(b), IySz(b), IzSz(b), ... \}

## Reference

- P. Lundström, P. Vallurupalli, T.M. Religa, F.W. Dahlquist, and L.E. Kay. _J.
Biomol. NMR_ **38**, 79-88 (2007)
- P. Lundström, P. Vallurupalli, T.M. Religa, F.W. Dahlquist, and L.E. Kay. _J.
Biomol. NMR_ **38**, 79-88 (2007)

## Example

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