File name: Pandora21s1_Bremen_20210226_L2Fit_fout2c12d20201116p1-8.txt File generation date: 20250430T193125.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v12d20201116.txt Level 1 file used: Pandora21s1_Bremen_20210226_L1_smca1c12d20201116p1-8.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: 20210226 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 20210226T082136.2Z 7727.348336 304 1 32.50 2 74.32 129.18 102.94 322.94 0.00 1 0.00 1 0 25 1.753e-01 5.059e-03 1.247e-01 2.590e-03 5.598777e-01 1.364473e-03 7.096794e-03 -6.000000e+00 1.029272e-01 224.09 -2.00 3.88 -2.00 320.39 0.00e+00 5.719041e-04 4.370681e-04 4.323699e-04 -6.000000e+00 4.199911e-03 266.85 -2.00 20.00 -2.00 320.09 0.00e+00 3.635 0.001 302.00 328.00 3 2.8754e+00 3.8732e-03 4.8058e-02 -6.0000e+00 2.5532e-01 5.6058e-02 4.7977e-03 3.1982e-02 -6.0000e+00 2.7829e-01 -1.2689e-02 4.9776e-03 1.7171e-02 -6.0000e+00 1.6404e-01 -4.9036e-03 2.6117e-03 5.4875e-03 -6.0000e+00 6.8487e-02 4.1525e-04 -7.5679e-04 7.9687e-05 7.0216e-05 -6.0000e+00 5.2600e-03 4.4625e-03 2.8795e-05 12 1 1 12 1 1 99.97 22.31 0.18 0.00446 -0.00122 99 30 1 5 0 323.227 25.39 19.99 22.31 13.78 22.8 999.74 -57593 -12945 -29781 -32373 126527 -43512 84661 -50019 22648 -63201 25048 -28118 3105 -10402 -6296 12315 -21412 17714 -17829 22519 10442 11254 -7639 -1017 4238 -4944 11571 -8805 4769 -5430 7063 -4902 4371 -4294 1237 8304 -5222 3429 -6124 3784 -1110 674 -709 -2158 -1956 1901 684 -2367 2795 -2895 2020 -2070 1766 288 552 417 -496 937 -622 2726 -170 3069 485 774 318 -227 1091 -644 1654 100 52 -375 720 -443 1064 101 -453 -393 -1021 104 -799 -471 -1845 -1087 -1391 -556 -255 -306 775 116 1117 656 1131 223 603 448 1347 542 -100 -14 -331 -40 -209 238 -1331 -347 -703 -235 199 -98 329 -124 239 -187 150 306 199 37 -465 -364 -598 154 -413 62 -50 344 667 566 518 -94 181 -51 60 -1 72 -286 254 229 -173 41 -266 147 -285 -637 -111 -312 -342 320 -480 330 -702 191 -1189 237 -463 46 -210 -146 281 -721 463 -674 631 335 364 -304 -41 177 -235 484 -433 206 -269 353 -312 288 -324 88 557 -429 304 -709 470 -162 104 -116 -366 -336 320 118 -429 501 -578 419 -491 440 78 158 125 -154 287 -190 800 -53 995 178 311 134 -95 443 -270 733 50 29 -217 413 -246 543 48 -199 -171 -483 56 -492 -324 -1396 -867 -1176 -494 -236 -292 733 108 971 537 882 176 510 424 1423 640 -127 -18 -410 -46 -224 251 -1491 -406 -863 -303 273 -145 525 -206 399 -305 233 456 294 56 -740 -600 -995 251 -655 95 -74 492 926 794 778 -155 319 -95 115 -2 150 -627 569 521 -395 92 -575 303 -573 SS 20210226T082712.8Z 7727.352232 307 1 49.65 2 73.67 130.45 103.43 324.16 0.00 1 0.00 1 0 17 2.287e-01 6.389e-03 1.714e-01 3.880e-03 5.474588e-01 2.045706e-03 6.959528e-03 -6.000000e+00 1.342802e-01 224.09 -2.00 3.88 -2.00 320.35 0.00e+00 8.093067e-04 6.457249e-04 4.104768e-04 -6.000000e+00 5.480111e-03 266.85 -2.00 20.00 -2.00 320.05 0.00e+00 3.500 0.001 302.00 328.00 3 3.9963e+00 5.7903e-03 4.6584e-02 -6.0000e+00 3.3309e-01 9.0727e-02 7.1228e-03 3.1216e-02 -6.0000e+00 3.6308e-01 -1.9787e-02 7.2727e-03 1.6700e-02 -6.0000e+00 2.1403e-01 -5.7985e-03 3.8255e-03 5.3179e-03 -6.0000e+00 8.9335e-02 1.5275e-04 -8.9838e-04 1.2021e-04 6.8410e-05 -6.0000e+00 6.8646e-03 5.0421e-03 -1.1340e-05 11 1 0 11 8 0 99.87 22.31 0.30 0.00504 -0.00171 39 8 1 5 0 1272.864 25.39 20.00 22.31 13.90 22.8 1000.61 24133 15375 22366 -81969 131080 -84970 170526 -22111 3828 -43914 6886 -17849 -19838 27888 -12053 32412 -43457 17903 -5109 6831 -528 -11816 -4727 -21061 15230 -16747 1485 -8069 7661 -24229 1701 -228 -1609 4913 -4951 1281 -6886 2864 -7212 4992 -2522 2 526 -2483 873 -2691 3327 -3778 4393 1590 3507 1340 -1492 2918 998 1254 1070 2374 -762 1307 -1433 3384 1454 562 850 385 1817 -1349 2116 -528 993 713 -106 -91 508 1748 -2084 52 -1779 1580 -2320 -270 -1812 -1628 -1189 -1079 555 276 213 -214 1106 604 602 554 577 781 489 653 -665 154 -356 188 -492 -150 -717 -963 -112 25 212 -491 202 -601 148 23 233 399 -20 195 -596 -174 -682 703 -506 272 425 50 635 473 478 65 267 -7 198 292 373 -153 -107 136 -427 79 -267 -243 -39 133 105 152 -1378 496 -1386 645 -250 38 -724 77 -275 -369 414 -305 637 -1867 481 -180 227 -19 -487 -191 -1062 595 -923 70 -408 332 -1475 92 -14 -116 352 -385 94 -594 264 -878 637 -388 0 88 -439 151 -491 581 -719 800 314 738 317 -395 796 292 382 335 735 -239 397 -459 1119 542 232 365 163 743 -576 945 -271 549 415 -62 -51 263 815 -937 23 -850 834 -1455 -186 -1380 -1313 -1011 -971 516 264 204 -200 965 496 471 435 487 736 520 773 -853 198 -441 214 -526 -158 -798 -1132 -137 32 290 -735 324 -1014 249 37 362 592 -30 293 -945 -287 -1136 1136 -801 415 625 71 872 656 712 107 468 -12 380 583 781 -336 -242 309 -979 177 -576 -503 -79 SS 20210226T083228.3Z 7727.355883 310 1 6.54 2 73.07 131.66 103.88 325.31 0.00 1 0.00 1 0 25 1.618e-01 7.992e-03 1.642e-01 6.015e-03 5.355025e-01 3.113431e-03 6.949966e-03 -6.000000e+00 9.496371e-02 224.09 -2.00 3.88 -2.00 319.57 0.00e+00 1.493582e-03 8.123312e-04 3.050613e-04 -6.000000e+00 3.875540e-03 266.85 -2.00 20.00 -2.00 319.28 0.00e+00 3.384 0.001 302.00 328.00 3 3.6707e+00 8.5298e-03 4.5182e-02 -6.0000e+00 2.3556e-01 8.5676e-02 1.0006e-02 3.0244e-02 -6.0000e+00 2.5678e-01 -3.6831e-02 9.0969e-03 1.5754e-02 -6.0000e+00 1.5136e-01 8.9802e-03 4.9126e-03 4.8298e-03 -6.0000e+00 6.3182e-02 2.3962e-04 -1.1343e-03 1.7857e-04 5.9103e-05 -6.0000e+00 4.8549e-03 3.9273e-03 -5.1363e-05 12 9 1 12 1 1 91.74 22.31 0.17 0.00393 -0.00460 4 8 1 5 0 1274.461 25.39 19.99 22.31 14.01 22.8 1001.09 42705 50492 -23899 77064 -10958 39195 -75426 48161 38164 -57137 63088 -35507 35046 -23147 14350 -17988 34161 -4836 13154 17604 14167 3525 -1077 4512 -9668 3968 3953 -768 -7430 -4138 -2307 7459 9640 -13478 -3780 1156 9420 6395 2038 -2913 -6113 -1620 -1920 1491 -5875 -792 -3141 765 -3582 1149 841 1320 520 -2275 2497 -292 1031 -44 1927 556 2390 1177 2055 1581 -1133 1430 -643 2856 231 814 -342 1018 -25 645 1228 -438 1536 -655 443 -1309 -969 -732 -1332 -334 -1033 -151 -492 65 -257 -105 -263 1060 1373 174 626 519 1337 432 -1155 305 -625 -623 455 761 -1567 -959 -818 -543 201 -348 -180 533 16 218 115 -437 514 -318 -399 -1123 -89 -101 -172 849 314 562 559 1446 383 214 -46 -301 972 668 -159 -238 264 29 -263 19 -340 -408 -459 349 436 -416 545 -159 362 -2018 489 468 -1729 705 -1037 652 -871 463 -893 1176 -256 631 850 726 201 -67 284 -744 283 285 -57 -577 -326 -201 681 965 -1761 -447 131 1067 866 342 -596 -1431 -389 -482 372 -1584 -207 -850 203 -1017 328 259 441 189 -902 996 -123 440 -19 805 233 1010 538 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