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Comment:
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| Deletions are marked like this. | Additions are marked like this. |
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| * Convert ascii TiO line lists to VALD binary format and kompress - 2011-02-15, see {{{ /vald-archive/source-lists/Molecules/TiO/Plez/tio_plez2vald.format }}}, both for calculated and observed wavelength files (with flag which has to be changed manually) | * UH, 2011-05-31: Processed Schwenke TiO line list * UH, 2011-02-15, 2011-03-13, 2011-05-26, 2011-05-31: Converted ascii TiO line lists to (new) VALD-3 binary format - see {{{ /vald-archive/source-lists/Molecules/TiO/ }}} for scripts, log files, format file, and binary lists; kompressed lists in CVALD3 format are in {{{ /vald-archive/source-lists/Molecules/MOLECULES/ }}}. |
| Line 18: | Line 18: |
'''Plez''': |
|
| Line 28: | Line 31: |
| '''Observed line lists''': | '''Schwenke''': {{{ /vald-archive/source-lists/Molecules/TiO/Schwenke/ }}} Original lists (Kurucz 1999): {{{ tioschwenke.bin, eschwenke.bin }}} Lists processed for non-resolved lambda doubling (Heiter 2011): {{{ tioschwenke??.dat.gz }}} Merging code: {{{ rschwenk-vald.for }}} '''Line lists with observed wavelengths''': |
| Line 33: | Line 48: |
| Original list: {{{ TiO-Phillips-OBS.dat }}} | Original list: {{{ TiO-Phillips-OBS-Plez-Kurucz.dat }}} |
| Line 42: | Line 57: |
== TiO electronic states == {{attachment:TiO_states.png|transitions table|width=400}} |
|
| Line 48: | Line 67: |
| {{attachment:BP_transitions.png|transitions table|width=700}} | {{attachment:BP_transitions.png|transitions table|width=600}} |
| Line 52: | Line 71: |
| The original line lists have been processed to merge non-resolved lambda-doubled lines (with equal wavelengths) by Ulrike (2009-02-06, 2009-06-30), see [[TiO/LambdaDoubling|page on lambda doubling]]. | The original line lists have been processed to merge non-resolved lambda-doubled lines (with equal wavelengths) by UH (2009-02-06, 2009-06-30), see [[TiO/LambdaDoubling|page on lambda doubling]]. |
| Line 79: | Line 98: |
| It contains 35584 lines in the alpha, beta, gamma, gamma prime systems with range: |
It contains 35584 lines in the alpha, beta, gamma, gamma prime systems. The same data have also been retrieved from the Kurucz website: http://kurucz.harvard.edu/molecules/TiO/tioberkeley.dat This file was found to contain data for eight additional vibrational bands in the alpha system (3198 lines), and these were added to the data obtained via Plez. In total, the data cover the following wavelength range: |
| Line 83: | Line 108: |
| ||20997.64 ||4762.440 || 4761.109 || | ||22610.30 ||4422.763 || 4421.521 || |
| Line 88: | Line 113: |
| The list has been converted to an ascii format where the observed wave numbers have been converted to air wavelengths and all other line data needed for a VALD line list have been taken from the calculated list by Plez (isotope 48, merged, see above), by Ulrike, 2009-05-22. | The list has been converted to an ascii format where the observed wave numbers have been converted to air wavelengths and all other line data needed for a VALD line list have been taken from the calculated list by Plez (isotope 48, merged, see above), by UH, 2009-05-22, 2011-05-26. |
| Line 91: | Line 116: |
The list has been sorted by wavelength after running the conversion code. |
|
| Line 96: | Line 119: |
| || A || 8761 || 4761 || 6277 || | || A || 11942 || 4421 || 6277 || |
| Line 100: | Line 123: |
| || Total || 35912 |||| || | || Total || 39093 |||| || |
| Line 103: | Line 126: |
| * 157 lines in systems other than gamma prime are not in the calculated list (all with J,,low,,<=4). * In the alpha and gamma systems, there are five "double" lines with same quantum numbers and branch names but slightly different wavenumbers. The wavenumbers for these have been averaged for the converted list. There are 18 double lines with exactly the same parameters. The duplicates have been removed for these. |
* 173 lines in systems other than gamma prime are not in the calculated list (all with J,,low,,<=4). * In the alpha and gamma systems, there are five "double" lines with same quantum numbers and branch names but slightly different wavenumbers. The wavenumbers for these have been averaged for the converted list. There are 19 double lines with exactly the same parameters. The duplicates have been removed for these. |
| Line 111: | Line 134: |
| * Totals: -630 +958 | * Totals: -647 +958 |
| Line 182: | Line 205: |
| Differences between observed and calculated wavelengths, O-C: min=-5.4Å, max=1.7Å. | Differences between observed and calculated wavelengths, O-C: min=-5.4Å, max=4.0Å. |
TiO data - see also TiO/LambdaDoubling
Contents
Next steps
- Extract TiO line lists for use with e.g. Synth
- Calculate synthetic spectra
- Compare with observed spectra of M dwarfs and giants
Done:
- UH, 2011-05-31: Processed Schwenke TiO line list
UH, 2011-02-15, 2011-03-13, 2011-05-26, 2011-05-31: Converted ascii TiO line lists to (new) VALD-3 binary format - see /vald-archive/source-lists/Molecules/TiO/ for scripts, log files, format file, and binary lists; kompressed lists in CVALD3 format are in /vald-archive/source-lists/Molecules/MOLECULES/ .
Summary of files
Calculated line lists:
Plez:
/vald-archive/source-lists/Molecules/TiO/Plez/
Original lists (Plez 2008/2009): linelist??_all.dat.gz
Lists processed for non-resolved lambda doubling (Heiter 2009): linelist??_all_nodoubling.dat.gz
Merging code: tio_plez_rm_doubling.pro
Schwenke:
/vald-archive/source-lists/Molecules/TiO/Schwenke/
Original lists (Kurucz 1999): tioschwenke.bin, eschwenke.bin
Lists processed for non-resolved lambda doubling (Heiter 2011): tioschwenke??.dat.gz
Merging code: rschwenk-vald.for
Line lists with observed wavelengths:
/vald-archive/source-lists/Molecules/TiO/Phillips/
Original list: TiO-Phillips-OBS-Plez-Kurucz.dat
Converted list (ascii format, same format as calculated lists): linelist48-TiO-Phillips-OBS-vald.asc
Conversion code: tio_phillips_to_vald_ascii.f
File with O-C wavelength differences: TiO-Phillips-O-C.dat
Gnuplot input file to plot O-C
TiO electronic states
Calculated TiO data from B. Plez
TiO line lists were calculated by Bertrand on 29 May 2008 with air wavelength, gf, energies for lower and upper levels, radiative damping constant, transition id and quantum numbers. In an update on 10 June 2009, the phi system was added (and the radiative damping constants for the delta system were changed).
Transitions:
Vibrational quantum numbers from 0 to 15, rotational quantum numbers from 1 to 200.
The original line lists have been processed to merge non-resolved lambda-doubled lines (with equal wavelengths) by UH (2009-02-06, 2009-06-30), see page on lambda doubling.
In the calculated lists, parity is given by the syml and symu quantum numbers, which can be 1 or -1. In the merged lists, syml and symu are set to 0 for the merged lines.
For gamma prime, delta, epsilon and E-B, lambda doubling is resolved (transitions involving E3-Pi, B3-Pi, and b1-Pi states), therefore there are few merged lines. For the phi transitions, lambda doubling does not exist (involves a Sigma state). For the remaining transitions (alpha, beta, gamma, a-f), lambda doubling is not resolved (therefore, all lines are merged).
Number of lines:
Isotope |
Nmerg |
Norig |
46 |
8333340 |
11280189 |
47 |
8334680 |
11281575 |
48 |
8335639 |
11282895 |
49 |
8336542 |
11284157 |
50 |
8337372 |
11285088 |
total |
41677573 |
56413904 |
Norig ... original lists
Nmerg ... non-resolved lambda-doubled lines merged
Observed wavenumbers
A line list with observed wavenumbers from Phillips has been provided by Bertrand Plez (priv. comm. 17 Sep 2008, 14 May 2009). Reference: Davis et al. 1986, ApJ 309, 449.
It contains 35584 lines in the alpha, beta, gamma, gamma prime systems.
The same data have also been retrieved from the Kurucz website: http://kurucz.harvard.edu/molecules/TiO/tioberkeley.dat
This file was found to contain data for eight additional vibrational bands in the alpha system (3198 lines), and these were added to the data obtained via Plez.
In total, the data cover the following wavelength range:
wavenumber(cm-1) |
wavelength(Å) |
|
|
vacuum |
air |
22610.30 |
4422.763 |
4421.521 |
11383.24 |
8784.845 |
8782.433 |
Isotope: 48Ti (see Davis et al. 1986, IV.a p. 452)
The list has been converted to an ascii format where the observed wave numbers have been converted to air wavelengths and all other line data needed for a VALD line list have been taken from the calculated list by Plez (isotope 48, merged, see above), by UH, 2009-05-22, 2011-05-26.
Lambda doubling is resolved in the observations only for the gamma prime system (P,Q,R 1/2 branches). "The Lambda-split components are designated by the usual subscripts c and d, which are assigned arbitrarily since the symmetry is unknown" (Phillips, 1969, ApJ 157, 449). Calculated data have been assigned to Lambda-doubled components according to wavelength order.
Number of lines and wavelength ranges for converted list:
System |
N |
Air wavelength range [Å] |
|
A |
11942 |
4421 |
6277 |
B |
826 |
5597 |
5740 |
G |
21071 |
6294 |
8783 |
H |
5254 |
5847 |
6891 |
Total |
39093 |
|
|
Explanation for different numbers of lines in original and converted list:
173 lines in systems other than gamma prime are not in the calculated list (all with Jlow<=4).
- In the alpha and gamma systems, there are five "double" lines with same quantum numbers and branch names but slightly different wavenumbers. The wavenumbers for these have been averaged for the converted list. There are 19 double lines with exactly the same parameters. The duplicates have been removed for these.
- There are 137 gamma prime P11/Q11/R11 lines, which are not in calculated list and have been discarded.
- 290 gamma prime PQR 1/2 lines have been discarded, where only one component (C or D) is in the observed list.
There is a double entry for gamma prime 0-1 Jlow=7 R1D.
For 20 lines in the gamma prime P1,Q1,P2,Q2,R2 lists, lambda doubling is not resolved in the calculated list. The observed wavenumber differences are very small for these lines (<=0.05 cm-1, >0 only for four lines), therefore they have been averaged.
The double line gamma prime 0-1 Jlow=1 R2 is not in the calculated list.
- P3,Q3,R3 lines in the gamma prime system are "double", because of resolved lambda doubling in the calculated list (+958 lines).
- Totals: -647 +958
Observed lines in beta system
v-v |
branch |
Jlow,min |
Jlow,max |
Jlow missing |
|
|
|
|
|
0-0 |
P |
4 |
99 |
94 |
1-1 |
P |
2 |
100 |
66,88,91,92,93,95 |
2-2 |
P |
2 |
90 |
8,10,12,14,76,81,83 |
|
|
|
|
|
0-0 |
Q |
2 |
100 |
4 |
1-1 |
Q |
1 |
100 |
2,4,96 |
2-2 |
Q |
3 |
100 |
7,78,82,83,84,89,90,91 |
|
|
|
|
|
0-0 |
R |
2 |
100 |
|
1-1 |
R |
2 |
98 |
7 |
2-2 |
R |
2 |
92 |
5,26,42,62,64,70,74,75,84 |
Observed lines in gamma prime system
see also TiO/LambdaDoubling
observed lines in gamma prime system, P1,Q1,R1 branches (C/D pairs for each v-v and Jlow), Jlow values:
vupp-vlow |
branch |
Jlow,min |
Jlow,max |
Jlow missing C+D |
Jlow missing C |
Jlow missing D |
|
|
|
|
|
|
|
0-0 |
P1 |
3 |
131 |
|
3,4,5,6,13,23 |
29,104,130,131 |
1-0 |
P1 |
2 |
107 |
98 |
21,77 |
15,63,103,107 |
0-1 |
P1 |
2 |
145 |
89,93,109,110,120,123 |
2,10,14,28,29,63,104, 126,131,135,138,139, 140,144,145 |
23,62,68,71,72,77,84,98, 99,111,125,129,130,136 |
|
|
|
|
|
|
|
0-0 |
Q1 |
1 |
141 |
2 |
1,12,119,138,139,140,141 |
4,7,118 |
1-0 |
Q1 |
1 |
120 |
|
1,104,105,112,114,118 |
|
0-1 |
Q1 |
2 |
144 |
94,138 |
11,104,107,114,125,127, 128,129,130,132,133,143,144 |
8,77,100,102,122,124 |
|
|
|
|
|
|
|
0-0 |
R1 |
1 |
122 |
96 |
5,6,19,64,87 |
1,2,76,83,84,90,94,100, 107,>=110 |
1-0 |
R1 |
1 |
135 |
126 |
28,43,78,82,95 |
116,119,121,128,131 |
0-1 |
R1 |
1 |
150 |
119,122,124,148 |
22,58,78,87,100,105,106, 108,111,114,115,130, 137,>=144 |
5,38,39,53,81,103,116, 117,121,125,128,141 (7 double) |
observed lines in gamma prime system, P2,Q2,R2 branches (C/D pairs for each v-v and Jlow), Jlow values:
vupp-vlow |
branch |
Jlow,min |
Jlow,max |
Jlow missing C+D |
Jlow missing C |
Jlow missing D |
||
|
|
|
|
|
|
|
|
|
0-0 |
P2 |
11 |
106 |
16 |
|
51, >=85 |
||
1-0 |
P2 |
3 |
88 |
|
3,4,6,15,34,35 |
5,16,82,88 |
||
0-1 |
P2 |
5 |
90 |
7,9,13,16,85 |
60,67 |
69,71,74,76, >=84 |
||
|
|
|
|
|
|
|
|
|
0-0 |
Q2 |
7 |
107 |
28 |
|
>=84 |
||
1-0 |
Q2 |
2 |
91 |
|
90 |
<=9, 35,74,91 |
||
0-1 |
Q2 |
4 |
85 |
8,19,75,82,84 |
78 |
72,76,79,80,83,85 |
||
|
|
|
|
|
|
|
|
|
0-0 |
R2 |
11 |
106 |
19,27,32,83,96,97 |
|
48,80, >=82 |
||
1-0 |
R2 |
4 |
90 |
|
18,36,81 |
4,5,6,8,22,25,37,41,50,61,75,89,90 |
||
0-1 |
R2 |
1 |
91 |
88 |
18,20,67,76 |
44,48,82,83, >=85 |
observed lines in gamma prime system, P3,Q3,R3 branches:
vupp-vlow |
branch |
Jlow,min |
Jlow,max |
Jlow missing |
|
|
|
|
|
0-0 |
P3 |
4 |
121 |
10,14,19,31,68 |
1-0 |
P3 |
7 |
95 |
63,89,93 |
0-1 |
P3 |
4 |
103 |
7,19,20,52,79,82,93,97 |
|
|
|
|
|
0-0 |
Q3 |
11 |
130 |
|
1-0 |
Q3 |
4 |
109 |
5,10,14,17,19 |
0-1 |
Q3 |
6 |
112 |
10,25,54,87,94,102,104,110 |
|
|
|
|
|
0-0 |
R3 |
11 |
139 |
21,25,30,65,77,118,119,123,124,134,138 |
1-0 |
R3 |
5 |
124 |
99,100,103,119,122 |
0-1 |
R3 |
3 |
127 |
5,14,20,70,94,95,96,98,100,113,123 |
Comparison of observed and calculated wavelengths
Differences between observed and calculated wavelengths, O-C: min=-5.4Å, max=4.0Å.
O-C wavelength differences for each system:
