Displaying 3 results from an estimated 3 matches for "hasselbalch".
2023 Nov 06
2
non-linear regression and root finding
Thanks a lot! This was amazing. I'm not sure I see how the conditiion
pK1 < pK2 < pK3 is enforced? - it comes from the derivation via
generalized Henderson-Hasselbalch but perhaps it is not really
necessary. Anyway, the use of Vectorize did the trick!
Best wishes
Troels
Den 06-11-2023 kl. 19:19 skrev Ivan Krylov:
> ? Mon, 6 Nov 2023 17:53:49 +0100
> Troels Ring <tring at gvdnet.dk> ?????:
>
>> Hence I wonder if I could somehow have non lin...
2023 Nov 06
1
non-linear regression and root finding
...thm, and the
man page rather pours cold water on using that algorithm.
Best, JN
On 2023-11-06 14:43, Troels Ring wrote:
> Thanks a lot! This was amazing. I'm not sure I see how the conditiion pK1 < pK2 < pK3 is enforced? - it comes from the
> derivation via generalized Henderson-Hasselbalch but perhaps it is not really necessary. Anyway, the use of Vectorize
> did the trick!
>
> Best wishes
> Troels
>
> Den 06-11-2023 kl. 19:19 skrev Ivan Krylov:
>> ? Mon, 6 Nov 2023 17:53:49 +0100
>> Troels Ring <tring at gvdnet.dk> ?????:
>>
>>>...
2023 Nov 06
1
non-linear regression and root finding
? Mon, 6 Nov 2023 17:53:49 +0100
Troels Ring <tring at gvdnet.dk> ?????:
> Hence I wonder if I could somehow have non linear regression to find
> the 3 pK values. Below is HEPESFUNC which delivers charge in the
> fluid for known pKs, HEPTOT and SID. Is it possible to have
> root-finding in the formula with nls?
Sure. Just reformulate the problem in terms of a function that