back to fit
The fitting procedure will store temporary best-fit parameters in the file ~tmppars.* (in the data directory, with the same extension as the data files) to allow restoring the analysis in case of a crash of the program. Sometimes, the cause of the crash is a floating parameter that does not influence the quality of the fit, and therefore can assume an unlimited number, causing the crash. In this case, when reloading the data, the attempt to restore the fit will fail. However, the tmppars file can be edited with the notepad, and the parameter with the very large number can be set to 1.000000
The following format for the ~tmppars file is used:
1) sedfit running or closed
2) component 1 exists?
3) component 1 concentration
4) component 1 float concentration?
5) component 1 diffusion coefficient/molar mass
6) component 1 float diffusion coefficient/molar mass?
7) component 1 sedimentation coefficient
8) component 1 float sedimentation coefficient?
9) component 1 not used
10) component 1 not used
11) component 2 exists?
12) component 2 concentration
13) component 2 float concentration?
14) component 2 diffusion coefficient/molar mass
15) component 2 float diffusion coefficient/molar mass?
16) component 2 sedimentation coefficient
17) component 2 float sedimentation coefficient?
18) component 2 not used
19) component 2 not used
20) component 3 exists?
21) component 3 concentration
22) component 3 float concentration?
23) component 3 diffusion coefficient
24) component 3 float diffusion coefficient/molar mass?
25) component 3 sedimentation coefficient/molar mass
26) component 3 float sedimentation coefficient?
27) component 3 not used
28) component 3 not used
29) component 4 exists?
30) component 4 concentration
31) component 4 float concentration?
32) component 4 diffusion coefficient/molar mass
33) component 4 float diffusion coefficient/molar mass?
34) component 4 sedimentation coefficient
35) component 4 float sedimentation coefficient?
36) component 4 not used
37) component 4 not used
38) baseline
39) float baseline?
40) meniscus
41) bottom
42) data left analysis limit
43) data right analysis limit
44) grid size
45) not used
46) not used
47) not used
48) not used
49) not used
50) not used
51) not used
52) not used
53) partial specific volume
54) buffer density
55) 1
56) 1
57) 1
58) automatic choice of finite element method?
59) use (s,M) as parameter space?
60) use moving frame of reference?
61) use Claverie static frame of reference?
62)
1
63) 0.1
64) 0.5
65) Tolerance
66) fixed dt?
67) ideal discrete species model?
68) monomer-dimer model?
69) monomer-trimer model?
70) monomer-dimer-tetramer model?
71) concentration dependent sedimentation?
72) continuous distribution?
73) constant initial condition
74) experimental initial condition
75) fit time-invariant noise
76) automatic choice of simulation method
77) automatic choice of s-value for frame of reference
78) vary t0 of simulation
79) t0 of simulation
80) fit radial-invariant noise
81) simulate acceleration phase of rotor
82) monomer-tetramer-octamer model
83) (not used)
84) (not used)