File name: Pandora21s1_Bremen_20240108_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240113T035804.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20240108_L1_smca1c1d20201116p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20240108 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20240108T105155.4Z 8773.452724 5 1 50.99 2 75.84 170.62 84.67 210.67 0.00 1 0.00 1 0 25 2.397e-01 4.786e-03 5.702e-02 1.106e-03 6.649977e-01 5.912898e-04 8.328507e-03 -6.000000e+00 1.399369e-01 221.07 -2.00 3.88 -2.00 320.94 0.00e+00 1.952366e-03 2.191381e-04 6.847223e-04 -6.000000e+00 5.751193e-03 266.16 -2.00 20.00 -2.00 320.65 0.00e+00 4.000 0.001 302.00 328.00 3 1.0237e+00 1.7357e-03 5.4622e-02 -6.0000e+00 3.4494e-01 4.3903e-02 2.3711e-03 3.8432e-02 -6.0000e+00 3.7591e-01 -2.1775e-02 2.7786e-03 2.1920e-02 -6.0000e+00 2.2206e-01 -3.1053e-03 1.4110e-03 7.4769e-03 -6.0000e+00 9.3957e-02 1.6854e-03 -8.4346e-04 3.3145e-05 9.4023e-05 -6.0000e+00 7.1776e-03 -3.8443e-02 9.0678e-05 10 0 0 10 0 0 99.99 22.12 0.18 -0.03844 -0.04478 756 148 1 5 0 66.375 25.28 19.99 22.12 5.77 34.8 1033.78 -54639 -109452 -50188 -100470 -79729 -68566 -104099 -67153 -95736 -28127 -78594 -45411 -52649 -34770 -21352 -7956 -13396 -20707 -2765 -12545 4737 -12433 3590 -6795 -6643 -7125 -5128 -6004 -12204 61 -5874 2773 -3942 756 -1255 252 -948 384 -692 -1925 2508 -1506 609 -455 642 116 250 -661 157 1691 534 2297 495 1727 74 1360 -46 -327 390 -98 1161 747 2220 1026 845 1448 1308 1088 1079 647 -38 -283 -339 24 -1 264 441 401 429 -162 -637 -737 -1324 -1452 -1293 -1069 -382 -189 -85 108 607 978 1151 1536 701 808 668 618 -139 -374 -115 -220 590 291 -506 -1024 -657 -667 -62 -28 -167 -281 -229 14 252 724 666 458 -27 -594 -623 -230 -188 -191 -96 -120 673 1185 626 223 68 7 134 221 -111 -233 -65 88 -343 -155 -86 -19 289 -218 -837 -236 -798 -493 -370 -847 -428 -929 -154 -778 -365 -563 -369 -253 -102 -211 -395 -48 -239 86 -253 70 -147 -158 -183 -134 -157 -339 2 -187 97 -162 33 -56 11 -45 21 -43 -147 211 -146 61 -48 69 13 28 -78 19 219 77 364 83 314 15 281 -10 -72 84 -21 245 170 558 295 264 458 410 347 370 251 -16 -133 -161 11 -1 100 154 137 157 -69 -320 -427 -863 -1022 -966 -797 -298 -153 -69 86 483 726 809 1074 532 697 629 666 -168 -472 -140 -247 595 280 -507 -1093 -737 -794 -79 -39 -249 -454 -382 23 394 1136 1021 717 -42 -971 -1032 -371 -290 -301 -145 -175 941 1647 941 357 121 13 274 477 -242 -540 -155 214 -842 -374 -196 -43 621 SS 20240108T110206.5Z 8773.459797 11 1 31.59 2 75.62 173.04 85.47 212.75 0.00 1 0.00 1 0 25 3.401e-01 8.921e-03 2.286e-01 6.416e-03 6.502727e-01 3.479483e-03 8.239380e-03 -6.000000e+00 2.006932e-01 221.07 -2.00 3.88 -2.00 320.88 0.00e+00 3.248080e-03 1.253536e-03 6.324391e-04 -6.000000e+00 8.625843e-03 266.16 -2.00 20.00 -2.00 320.58 0.00e+00 3.944 0.001 302.00 328.00 3 3.7219e+00 1.0148e-02 5.3656e-02 -6.0000e+00 4.9586e-01 9.3142e-02 1.3455e-02 3.7505e-02 -6.0000e+00 5.4107e-01 -2.3961e-02 1.5189e-02 2.1127e-02 -6.0000e+00 3.1726e-01 -6.9548e-04 7.7816e-03 7.1203e-03 -6.0000e+00 1.3343e-01 1.1668e-04 -1.5518e-03 1.9503e-04 9.3633e-05 -6.0000e+00 1.0333e-02 -3.6641e-02 -5.1797e-05 12 9 1 12 1 1 99.98 22.12 0.12 -0.03664 -0.04830 58 18 1 5 0 535.318 25.28 20.01 22.12 6.28 34.1 1034.86 -67039 126198 -123620 -109874 -52763 -190663 900000 -35400 900000 -98784 -106055 900000 -40782 -68673 -76699 17289 -24250 6257 -8250 140014 -13032 11485 54614 -38436 3778 15494 -23440 -32877 -8536 -40336 32478 7038 20444 16364 -5700 -8093 -2290 28871 -12667 3375 -7101 4203 -1346 1884 -6783 3562 1447 5109 3467 1330 9298 2515 9256 4343 -1625 2156 3851 2286 -2246 4307 5401 4446 4960 139 2193 -1064 4942 1188 -199 345 -503 -355 341 -965 -502 -642 1208 1132 841 -487 -4045 -2411 -1199 -2048 -1597 -235 -723 42 962 -341 908 1184 573 560 1454 532 2104 613 -1087 -349 -543 349 137 1294 -1314 -1335 -1430 62 -193 -546 318 50 257 -107 166 37 416 -398 -336 -204 -614 102 339 6 367 300 104 1142 612 137 191 -317 291 152 460 -407 302 51 -187 28 -114 -260 -397 -427 789 -1596 -1291 -377 -4021 900000 -247 900000 -1382 -1674 900000 -503 -1299 -1885 238 -524 117 -186 1021 -334 246 855 -1341 101 397 -843 -1277 -272 -1749 879 272 807 726 -307 -442 -125 1380 -1014 277 -722 421 -150 211 -839 411 175 615 443 184 1300 414 1573 837 -353 473 858 522 -526 934 1174 1042 1289 42 705 -358 1555 392 -71 137 -223 -168 162 -447 -216 -252 430 395 315 -211 -2107 -1411 -769 -1418 -1165 -180 -583 35 797 -280 702 856 396 386 1064 443 1972 660 -1306 -433 -656 386 139 1244 -1333 -1430 -1609 72 -244 -757 481 81 429 -176 261 56 612 -601 -528 -333 -1019 164 528 9 534 422 142 1539 885 222 338 -604 579 317 1007 -943 719 124 -454 68 -262 -566 -830 SS 20240108T111607.1Z 8773.469527 17 1 2.01 2 75.43 176.38 86.63 215.58 0.00 1 0.00 1 0 25 2.325e-01 9.059e-03 2.414e-01 7.755e-03 6.391874e-01 4.055438e-03 8.238217e-03 -6.000000e+00 1.356515e-01 221.07 -2.00 3.88 -2.00 320.12 0.00e+00 2.614684e-03 1.252229e-03 4.703745e-04 -6.000000e+00 5.644208e-03 266.16 -2.00 20.00 -2.00 319.85 0.00e+00 3.894 0.001 302.00 328.00 3 2.5158e+00 1.1327e-02 5.2573e-02 -6.0000e+00 3.3438e-01 5.5819e-02 1.4030e-02 3.6105e-02 -6.0000e+00 3.6446e-01 -4.5748e-02 1.4683e-02 1.9542e-02 -6.0000e+00 2.1545e-01 9.6529e-03 7.7734e-03 6.2930e-03 -6.0000e+00 9.1541e-02 4.2976e-04 -1.3338e-03 2.2152e-04 7.8444e-05 -6.0000e+00 6.9684e-03 -3.7439e-02 -2.5630e-05 12 9 1 12 1 1 98.60 22.13 0.34 -0.03744 -0.04746 4 25 1 5 0 400.534 25.28 20.00 22.13 6.68 33.7 1035.55 -79762 -85858 900000 -89810 -94780 12106 -65630 15378 -89850 -67826 -129456 16568 -32117 21893 -17695 11568 -19424 12156 -1042 -28355 -10641 -25476 27146 -18838 10339 -18547 25154 13244 -15332 -1673 -4244 15866 -7228 -1954 -16577 -3189 12299 5375 6517 -988 -411 -1686 -812 -1456 3800 -4741 6391 -4517 2998 79 5172 4535 -1715 4387 1516 142 -2233 -295 1869 2473 -528 3955 505 912 2748 3098 539 124 660 489 -452 -169 87 592 -1539 2273 -1855 1822 -1668 -328 -2505 -1572 -1191 -1583 -972 -1531 379 -780 598 182 -1018 318 1671 1479 1164 2237 1121 -169 -458 -676 514 -217 363 683 -319 -2008 -142 -1354 -22 371 -24 -313 -565 -381 131 470 605 1133 -199 -217 -546 602 -475 -215 799 -205 411 587 573 196 912 -425 286 284 -311 -463 -331 645 -934 612 -294 -225 92 -704 -974 900000 -1188 -1254 92 -662 116 -1359 -983 -3464 125 -486 248 -350 209 -554 283 -30 -1072 -378 -991 695 -763 367 -872 849 501 -712 -77 -213 780 -523 -148 -1468 -245 857 464 631 -124 -59 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