File name: Pandora21s1_Bremen_20220914_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T122442.5Z 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_20220914_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: 20220914 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 20220914T064957.2Z 8292.284690 256 1 50.63 2 74.01 106.22 65.15 259.90 0.00 1 0.00 1 0 25 1.397e-01 9.483e-03 1.679e-01 9.478e-03 4.440475e-01 5.054282e-03 5.731808e-03 -6.000000e+00 8.377000e-02 228.84 -2.00 3.88 -2.00 320.00 0.00e+00 1.521865e-03 1.386177e-03 2.696738e-04 -6.000000e+00 3.347788e-03 279.71 -2.00 20.00 -2.00 319.69 0.00e+00 3.567 0.001 302.00 328.00 3 4.9969e+00 1.4173e-02 4.3834e-02 -6.0000e+00 2.1010e-01 8.5741e-02 1.6585e-02 2.5843e-02 -6.0000e+00 2.2792e-01 7.7807e-03 1.4810e-02 1.3336e-02 -6.0000e+00 1.3389e-01 -1.5870e-02 7.8794e-03 4.0873e-03 -6.0000e+00 5.5611e-02 5.9289e-05 -4.0077e-04 3.0764e-04 5.2081e-05 -6.0000e+00 4.1915e-03 -2.1024e-02 1.3747e-04 12 8 8 10 0 0 99.93 22.28 0.29 -0.02102 -0.02404 36 7 1 5 0 1406.199 25.39 20.00 22.28 21.90 29.9 1001.14 -26763 -51704 -15130 -25121 85559 -36758 -35328 24547 -19346 54263 9502 -45777 -39387 -24177 6667 -1489 -78 -12145 31041 668 -13378 10761 19627 -825 -7612 -7281 -2627 24487 2238 -1721 4202 -4129 2336 1455 14300 -15406 23657 -14624 3219 166 -5338 3567 -3060 -2709 4442 -1905 56 -246 1548 635 4106 566 -1120 -1880 2476 -1542 -889 1966 4174 -210 4735 3461 4970 -1001 -3488 -1719 408 2190 1568 2687 -85 2691 1108 1701 -55 -2165 -1629 312 947 -2595 296 -1283 -1687 -2271 197 -557 -952 -964 -366 -549 1055 1843 501 -362 1584 1160 235 -58 36 502 -213 -752 381 1426 -1177 -1513 -1397 -241 -79 394 -178 511 -437 649 120 132 -290 20 -634 -882 -709 -405 1136 90 590 -227 443 1301 361 1244 -366 741 208 308 439 -268 -197 227 -467 -244 -351 -269 68 -511 -1368 -313 -559 791 -833 -826 385 -482 786 207 -1690 -1570 -1000 249 -68 -4 -710 1330 39 -908 600 1041 -55 -577 -577 -203 1468 159 -129 323 -383 227 151 1315 -1832 2102 -2106 467 29 -1102 727 -695 -630 978 -451 13 -58 365 156 1039 161 -350 -633 840 -564 -332 719 1477 -77 1685 1332 2067 -480 -1786 -849 190 990 753 1423 -51 1665 703 1042 -32 -1183 -813 147 463 -1469 186 -917 -1321 -1901 171 -519 -940 -987 -376 -553 992 1599 412 -293 1320 1073 247 -69 46 649 -267 -879 410 1497 -1330 -1821 -1764 -317 -110 587 -288 857 -742 1053 184 192 -414 29 -977 -1435 -1181 -668 1798 139 875 -325 607 1758 519 1930 -621 1309 383 589 883 -571 -433 509 -1062 -547 -762 -559 135 SS 20220914T065527.2Z 8292.288509 259 1 27.24 2 73.22 107.39 65.93 261.04 0.00 1 0.00 1 0 25 7.779e-02 7.061e-03 6.178e-02 4.629e-03 4.278294e-01 2.437769e-03 5.567425e-03 -6.000000e+00 4.662047e-02 228.84 -2.00 3.88 -2.00 319.47 0.00e+00 3.751727e-04 5.877852e-04 2.181262e-04 -6.000000e+00 1.863538e-03 279.71 -2.00 20.00 -2.00 319.17 0.00e+00 3.409 0.001 302.00 328.00 3 4.3446e+00 6.7131e-03 4.1962e-02 -6.0000e+00 1.1693e-01 6.9292e-02 7.7117e-03 2.4756e-02 -6.0000e+00 1.2687e-01 -1.6857e-02 6.4035e-03 1.2609e-02 -6.0000e+00 7.4525e-02 -1.4887e-03 3.4333e-03 3.7811e-03 -6.0000e+00 3.0939e-02 1.3792e-04 -7.8007e-04 1.4628e-04 4.6156e-05 -6.0000e+00 2.3346e-03 -2.0580e-02 1.4349e-05 12 9 1 12 1 1 97.01 22.28 0.20 -0.02058 -0.02644 9 4 1 5 0 2706.500 25.39 19.99 22.28 21.94 29.9 1001.81 -24889 -14814 -13870 12947 -42276 18519 -43551 22517 -12169 -30291 10086 -8062 -13092 -11574 13392 -2948 -8197 -6937 2447 -7378 -4932 5193 -1518 2289 -8722 -1287 -1954 -6898 -1698 1387 -703 7055 3409 -5852 3058 -7638 -6497 -7074 1146 -1285 712 931 -2996 -1253 269 472 2113 5526 -681 -343 3298 -366 2726 -418 1603 849 -279 683 3307 1333 1548 3488 -172 1173 721 1376 568 1435 -45 391 -1020 172 -156 861 -542 -939 -1137 -673 -802 -2998 -579 -750 -1581 -316 -1241 -638 -631 921 -921 -277 -211 1337 1569 575 1190 1034 538 382 471 -1120 328 -775 -59 625 -813 -563 -1048 -281 -638 103 267 -67 -349 -51 390 174 437 50 258 -713 -413 230 394 122 241 254 -122 1003 369 801 273 115 371 181 -103 124 164 -231 -506 -423 -6 -291 45 -577 -354 -347 250 -1266 311 -1347 428 -352 -1113 267 -269 -522 -539 583 -170 -544 -488 167 -580 -391 380 -122 189 -856 -124 -192 -694 -157 126 -70 737 409 -812 386 -1054 -946 -1196 214 -289 176 246 -857 -361 77 136 603 1527 -202 -104 1030 -128 1000 -168 664 367 -125 305 1425 580 684 1610 -89 650 416 773 309 765 -25 245 -707 124 -114 609 -367 -587 -658 -373 -462 -1954 -416 -597 -1370 -286 -1194 -646 -670 997 -1020 -300 -218 1276 1410 509 1093 1037 598 466 614 -1506 423 -945 -67 702 -966 -703 -1370 -381 -911 155 426 -111 -580 -82 596 254 626 73 394 -1143 -675 373 624 190 360 368 -172 1387 535 1241 451 197 656 331 -197 245 334 -480 -1058 -877 -13 -569 85 SS 20220914T070029.7Z 8292.292010 262 1 49.57 2 72.50 108.47 66.65 262.08 0.00 1 0.00 1 0 25 5.494e-02 6.295e-03 5.090e-02 3.703e-03 4.090353e-01 1.956611e-03 5.322532e-03 -6.000000e+00 3.292977e-02 228.84 -2.00 3.88 -2.00 319.65 0.00e+00 4.649124e-04 4.894535e-04 2.172737e-04 -6.000000e+00 1.316243e-03 279.71 -2.00 20.00 -2.00 319.34 0.00e+00 3.277 0.001 302.00 328.00 3 4.2339e+00 5.4201e-03 4.0283e-02 -6.0000e+00 8.2591e-02 4.3846e-02 6.2479e-03 2.3718e-02 -6.0000e+00 8.9611e-02 1.9751e-03 5.2676e-03 1.2116e-02 -6.0000e+00 5.2638e-02 -8.1839e-03 2.8168e-03 3.6550e-03 -6.0000e+00 2.1854e-02 1.8033e-04 -6.5927e-04 1.1947e-04 4.5606e-05 -6.0000e+00 1.6489e-03 -2.0859e-02 2.1152e-05 10 0 0 10 0 0 99.45 22.28 0.30 -0.02086 -0.02581 44 9 1 5 0 1126.258 25.39 20.00 22.28 22.05 29.9 1002.35 -28828 -13704 -16218 17924 -11310 24308 2521 -4931 -8125 -20264 13340 -19219 4931 -11697 -1944 -4643 3543 -12649 -3165 5027 -9799 2444 -3273 -2889 -1469 3551 3913 446 -3316 776 785 921 2566 -2857 3072 -2580 5528 2536 -2052 -2064 -359 238 -3266 1563 -702 1608 -3420 950 -837 -824 1169 555 1184 -717 2088 -1006 1154 -738 1556 1736 -143 2438 -651 257 119 1731 -680 1465 464 1196 245 78 910 -943 390 -142 1727 -437 804 492 57 -1152 -2038 -991 -1277 -888 -670 109 -250 254 266 831 1489 480 575 253 1690 655 272 -803 -496 -292 38 448 -932 -1010 -882 394 -468 243 -190 -96 -59 -527 337 162 789 228 -21 -777 -809 -269 127 -41 549 511 546 1159 -49 399 128 654 328 470 241 -596 19 6 48 -493 23 -312 -177 -705 -330 -421 339 -260 398 52 -121 -229 -682 346 -708 166 -537 -96 -265 205 -908 -220 340 -785 177 -258 -241 -129 314 350 40 -299 68 74 97 293 -363 365 -320 677 369 -372 -440 -85 60 -884 414 -192 433 -970 258 -234 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