File name: Pandora21s1_Bremen_20221110_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T130002.7Z 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_20221110_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: 20221110 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 20221110T082945.3Z 8349.353996 327 1 23.75 2 78.15 141.39 86.84 306.19 0.00 1 0.00 1 0 25 4.068e-01 1.131e-02 2.719e-01 8.545e-03 5.823958e-01 4.579205e-03 7.534915e-03 -6.000000e+00 2.367640e-01 221.26 -2.00 3.88 -2.00 320.70 0.00e+00 3.507825e-03 1.564374e-03 4.829746e-04 -6.000000e+00 1.013936e-02 271.57 -2.00 20.00 -2.00 320.39 0.00e+00 4.722 0.002 302.00 328.00 3 3.5949e+00 1.3212e-02 5.7050e-02 -6.0000e+00 5.8452e-01 1.5934e-01 1.6803e-02 3.3485e-02 -6.0000e+00 6.3844e-01 -9.5833e-02 1.8135e-02 1.8237e-02 -6.0000e+00 3.7643e-01 2.9805e-02 9.4233e-03 5.9454e-03 -6.0000e+00 1.5980e-01 6.9388e-05 -2.9677e-03 2.6788e-04 8.0697e-05 -6.0000e+00 1.2309e-02 -1.8187e-02 -3.4458e-04 12 9 9 12 9 1 99.98 22.08 0.25 -0.01819 -0.04049 15 7 1 5 0 1472.766 25.28 19.99 22.08 18.06 30.5 1012.63 900000 -131473 -52870 196427 -142023 8911 -100717 81390 -62262 900000 -26566 48483 -27996 900000 63042 37421 40087 49101 50930 -35202 289572 -27565 80463 55771 54352 5550 -16940 39555 -20340 34034 -1836 5124 -2008 4760 -8623 2053 20836 -1260 25061 -25473 -11380 -2357 1972 -7739 -13 -4197 -6524 -8107 4649 13462 -4299 10457 2289 5851 4467 1958 -534 6037 1386 2932 6055 -4517 -2434 991 2053 1840 5623 4877 -3047 2781 -1098 4007 -2216 10 -837 2659 -135 1296 -691 -1512 133 -2173 173 -1797 -2228 -1708 -317 252 1196 988 1949 2367 -1731 1473 -851 610 -210 502 -46 -277 -494 -2042 627 -369 -158 -1912 -1110 -815 61 271 118 585 -628 987 186 521 432 -82 -951 47 -633 388 -118 -763 242 -194 1140 1739 662 102 379 379 614 -582 -179 52 607 -64 -339 -245 -506 -129 42 900000 -2753 -603 1636 -3299 74 -1673 678 -900 900000 -320 404 -449 900000 689 597 700 865 946 -1440 2412 -1097 1299 1178 1238 202 -762 1082 -930 1017 -84 256 -121 289 -589 127 1157 -98 1815 -3425 -1512 -311 263 -1166 -2 -636 -1032 -1332 704 1982 -809 1887 487 1296 1060 495 -142 1515 357 736 1506 -1334 -784 342 746 669 1934 1705 -1228 1189 -536 1970 -1161 5 -389 1093 -53 491 -285 -718 72 -1354 116 -1306 -1721 -1392 -268 219 1038 841 1562 1773 -1280 1054 -665 528 -207 554 -56 -344 -596 -2309 641 -371 -165 -2139 -1294 -998 79 383 182 948 -1046 1589 288 771 629 -122 -1495 76 -1049 627 -186 -1174 356 -278 1563 2379 975 166 669 708 1195 -1193 -384 116 1398 -150 -803 -571 -1140 -277 87 SS 20221110T083458.0Z 8349.357615 330 1 49.53 2 77.67 142.57 87.44 307.17 0.00 1 0.00 1 0 25 2.471e-01 8.265e-03 2.325e-01 6.580e-03 5.642267e-01 3.514901e-03 7.192293e-03 -6.000000e+00 1.440461e-01 221.26 -2.00 3.88 -2.00 320.70 0.00e+00 1.964816e-03 1.205875e-03 4.966050e-04 -6.000000e+00 5.943208e-03 271.57 -2.00 20.00 -2.00 320.40 0.00e+00 4.551 0.002 302.00 328.00 3 3.6598e+00 1.0173e-02 5.5035e-02 -6.0000e+00 3.5520e-01 1.1463e-01 1.2912e-02 3.2374e-02 -6.0000e+00 3.8752e-01 -4.3008e-02 1.3871e-02 1.7817e-02 -6.0000e+00 2.2880e-01 9.0580e-03 7.2014e-03 5.9000e-03 -6.0000e+00 9.7233e-02 7.8881e-05 -1.1270e-03 2.0812e-04 7.8295e-05 -6.0000e+00 7.4455e-03 -2.2958e-02 5.9771e-05 11 8 0 10 0 0 99.90 22.08 0.26 -0.02296 -0.03143 31 6 1 5 0 1597.345 25.17 20.00 22.08 18.30 30.4 1013.33 900000 -135919 125299 57527 -69077 -49462 -47139 67988 -69842 -85625 38829 -19712 -39651 21864 2396 -50356 -30408 -19581 -31196 -9732 15231 30157 60721 44281 -15396 -11579 -23181 -5347 -13763 -27008 3718 14304 17328 866 -750 -13063 2077 -6433 5961 3240 -3035 1608 -1811 1368 5233 -6165 -1525 5002 -1341 -2893 -6838 3880 4604 5253 203 4968 -907 4481 -1484 2839 4520 3698 297 1772 2425 1991 1219 -632 -24 202 356 934 1503 1072 -1779 -166 -661 21 -1837 -950 -1149 -1453 -1975 -1533 -594 -305 397 -1448 231 623 -37 903 508 -780 1110 1731 314 543 -550 142 320 -15 360 24 -1484 -179 -848 -271 630 -500 -407 -120 -539 -551 490 688 514 529 -352 -946 -1243 703 475 -592 146 759 983 1093 485 37 976 214 -149 85 -190 -186 42 332 238 -335 -198 -940 328 900000 -2725 804 369 -795 -468 -459 436 -1027 -1564 252 -236 -666 263 41 -1608 -914 -585 -1108 -301 392 691 1101 987 -622 -478 -1086 -212 -581 -1331 156 629 840 52 -46 -892 131 -505 499 329 -369 203 -249 188 707 -943 -228 717 -211 -487 -1293 731 942 1154 50 1213 -241 1141 -394 713 1138 1007 93 604 874 721 435 -231 -9 88 171 472 762 527 -839 -70 -260 8 -758 -443 -621 -892 -1342 -1109 -452 -246 335 -1287 204 536 -30 688 369 -568 847 1472 307 599 -667 177 384 -16 368 24 -1564 -197 -990 -332 821 -717 -635 -198 -908 -907 762 1019 748 786 -551 -1559 -2087 1143 750 -916 216 1079 1350 1497 714 61 1716 402 -293 174 -412 -423 98 792 571 -797 -451 -2057 683 SS 20221110T084614.1Z 8349.365441 333 1 49.47 2 76.68 145.13 88.70 309.31 0.00 1 0.00 1 0 25 1.315e-01 4.994e-03 4.644e-02 1.455e-03 5.324769e-01 7.632095e-04 6.818505e-03 -6.000000e+00 7.661761e-02 221.26 -2.00 3.88 -2.00 320.45 0.00e+00 1.135485e-03 2.487404e-04 4.262343e-04 -6.000000e+00 3.150108e-03 271.57 -2.00 20.00 -2.00 320.16 0.00e+00 4.234 0.002 302.00 328.00 3 1.5657e+00 2.1769e-03 5.1362e-02 -6.0000e+00 1.8893e-01 4.0877e-02 2.7069e-03 3.0306e-02 -6.0000e+00 2.0604e-01 -7.6640e-03 2.8212e-03 1.6481e-02 -6.0000e+00 1.2170e-01 -7.8242e-03 1.4804e-03 5.3823e-03 -6.0000e+00 5.1343e-02 9.3035e-04 -9.9975e-04 4.5656e-05 6.8772e-05 -6.0000e+00 3.9373e-03 -2.2978e-02 3.7831e-05 10 0 0 10 0 0 99.96 22.08 0.21 -0.02298 -0.03049 309 61 1 5 0 160.049 25.28 20.00 22.08 18.59 30.2 1014.17 -69384 -25710 -59965 34322 -66187 18412 -43289 -29111 -33411 -36140 -31085 -27169 -7319 -27757 12963 -13363 5162 -4326 -372 -3300 -6613 6676 -7481 3729 -7437 792 -3879 1814 -4817 217 -717 -1414 5296 -2783 2574 -6277 6131 -1607 818 -2418 -3478 104 -2627 524 -1602 1250 -998 1489 -281 1850 1135 597 1789 261 1444 -486 1068 -370 1119 479 1286 911 1041 996 473 1510 -49 1259 448 784 -295 357 229 -444 165 -206 720 -326 925 -807 -432 -1321 -1766 -1375 -1223 -438 -582 136 -78 515 459 652 1121 1094 1223 462 1007 381 -20 -399 -132 -382 88 260 -1109 -596 -989 -138 -333 234 -223 -38 -16 51 320 492 704 193 160 -660 -587 -352 -262 -260 68 126 587 1216 326 427 63 265 120 226 -130 -299 -44 -20 -226 -243 -55 -156 321 -816 -247 -814 195 -899 113 -483 -319 -433 -527 -460 -427 -113 -609 250 -370 134 -136 -12 -110 -236 227 -285 137 -331 35 -182 79 -220 10 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