Re: [R] R emulation of FindRoot in Mathematica

2023-01-23 Thread Troels Ring
Dear Leonard - thanks a lot for the solution! Yes, you are right: pH is presumed known, so the effort is repeated at a series of chosen pH values.  It appears that no matter x0 the estimate for atp is always -6.239560e-01 which even accounting for offset of 0.008 is negative which is not possib

Re: [R] R emulation of FindRoot in Mathematica

2023-01-22 Thread Leonard Mada via R-help
Dear Troels, There might be an error in one of the eqs: # [modified] TODO: check; mg2atp <- 10^(-7)*Mg*mgatp; This version works: x0 = c(     atp = 0.008,     adp = 0.1,     pi = 0.003,     pcr = 0.042,     cr = 0.004,     lactate = 0.005 ) / 30; # solved the positive value x0[1] = 1E

Re: [R] R emulation of FindRoot in Mathematica

2023-01-22 Thread Leonard Mada via R-help
Dear Troels, I send you an updated version of the response. I think that a hybrid approach is probably the best solution: - Input / Starting values = free: ATP, ADP, Crea, CreaP, lactate, inorganic phosphate; - Output: diff(Total, given total value); - I assume that the pH is given; - I did NOT

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Gabor Grothendieck
If the equations are in the form shown in your post then take the log of both sides, expand the logs and replace log(whatever) with new variables so now the equations are in linear form and are easy to solve. __ R-help@r-project.org mailing list -- To UN

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Søren Højsgaard via R-help
,timothy%20aaron%22%20%3cteb...@ufl.edu%3e>>, Valentin Petzel mailto:valentin%20petzel%20%3cvalen...@petzel.at%3e>> Subject: Re: [R] R emulation of FindRoot in Mathematica Date: Thu, 19 Jan 2023 16:18:57 +0100 Hi Jeff - that is definitely not fair, this is a highly respected scie

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Berend Hasselman
If you need to solve a nonlinear system of equations you could have a look at the CRAN Task View: Numerical Mathematics: https://cran.r-project.org/view=NumericalMathematics Specifically look in the subsection "Root Finding and Fixed Points". Berend Hasselman > On 19 Jan 2023, at 10:41,

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Troels Ring
verify how the numbers out were calculated so they must be correct" approach to analysis does not really work for me. Tim -Original Message- From: R-help On Behalf Of Troels Ring Sent: Thursday, January 19, 2023 9:18 AM To: Valentin Petzel ; r-help mailing list Subject: Re: [R

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread J C Nash
elp mailing list Subject: Re: [R] R emulation of FindRoot in Mathematica [External Email] Thanks, Valentin for the suggestion. I'm not sure I can go that way. I include below the statements from the paper containing the knowledge on the basis of which I would like to know at specified [H

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Jeff Newmiller
From: R-help On Behalf Of Troels Ring >Sent: Thursday, January 19, 2023 9:18 AM >To: Valentin Petzel ; r-help mailing list > >Subject: Re: [R] R emulation of FindRoot in Mathematica > >[External Email] > >Thanks, Valentin for the suggestion. I'm not sure I can go that way

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Troels Ring
Re: [R] R emulation of FindRoot in Mathematica [External Email] Thanks, Valentin for the suggestion. I'm not sure I can go that way. I include below the statements from the paper containing the knowledge on the basis of which I would like to know at specified [H] the concentration of ea

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Ebert,Timothy Aaron
R-help On Behalf Of Troels Ring Sent: Thursday, January 19, 2023 9:18 AM To: Valentin Petzel ; r-help mailing list Subject: Re: [R] R emulation of FindRoot in Mathematica [External Email] Thanks, Valentin for the suggestion. I'm not sure I can go that way. I include below the statements

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Troels Ring
Thanks,   Valentin for the suggestion. I'm not sure I can go that way. I include below the statements from the paper containing the knowledge on the basis of which I would like to know at specified [H] the concentration of each of the many metabolites given the constraints. I have tried to cont

Re: [R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Valentin Petzel
Hello Troels, As fair as I understand you attempt to numerically solve a system of non linear equations in multiple variables in R. R does not provide this functionality natively, but have you tried multiroot from the rootSolve package: https://cran.r-project.org/web/packages/rootSolve/rootSo

[R] R emulation of FindRoot in Mathematica

2023-01-19 Thread Troels Ring
Hi friends - I hope this is not a misplaced question. From the literature (Kushmerick AJP 1997;272:C1739-C1747) I have a series of Mathematica equations which are solved together to yield over different pH values the concentrations of metabolites in skeletal muscle using the Mathematica functio