File name: Pandora21s1_Bremen_20210719_L2Fit_fout2c12d20201116p1-8.txt File generation date: 20250430T203235.0Z 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_20210719_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: 20210719 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 20210719T073251.5Z 7870.314485 211 1 1.23 2 55.38 101.61 143.47 15.14 0.00 1 0.00 1 0 17 8.304e-03 5.960e-03 5.402e-03 2.608e-03 2.609880e-01 1.395369e-03 3.467958e-03 -6.000000e+00 5.056116e-03 233.92 -2.00 3.88 -2.00 316.22 0.00e+00 3.394177e-05 1.388371e-04 4.348752e-05 -6.000000e+00 1.989420e-04 282.77 -2.00 20.00 -2.00 315.90 0.00e+00 1.755 0.000 302.00 328.00 3 2.4795e+00 3.6735e-03 2.3384e-02 -6.0000e+00 1.2837e-02 8.3808e-03 4.0670e-03 1.5143e-02 -6.0000e+00 1.3890e-02 7.1434e-05 2.3462e-03 7.3703e-03 -6.0000e+00 8.1261e-03 -2.2037e-03 1.0658e-03 2.0313e-03 -6.0000e+00 3.3263e-03 5.5842e-03 -1.8373e-04 7.9980e-05 2.7242e-05 -6.0000e+00 2.4980e-04 1.0931e-03 -2.8563e-05 12 1 1 12 1 1 -35.79 22.35 0.13 0.00109 -0.00029 6 65 1 5 0 150.539 25.47 20.00 22.35 25.39 25.3 998.94 -2730 -2365 -2628 -496 -2884 -737 -1036 -762 -148 -1077 -383 -1337 -992 -179 -360 -834 717 302 243 515 -454 1775 272 520 607 1128 98 599 1222 605 1588 1193 1576 -225 -39 731 -75 -685 -813 -1276 -1032 -725 -752 -42 -700 -624 -631 -1272 -171 536 669 756 751 436 394 608 923 485 1000 1031 1012 1028 285 375 -114 198 28 746 372 386 -439 -336 -264 -803 -376 -217 164 844 939 42 -290 -1038 -1543 -1315 -1571 -753 -636 -323 -181 -182 239 669 903 870 1062 542 1227 119 -627 -503 -68 -524 376 381 -397 -478 -432 -174 -106 44 -42 -123 -225 -476 177 604 963 -28 487 -316 -611 175 -478 -185 61 467 914 1373 687 47 362 312 175 477 -116 -122 144 -46 -410 -419 -402 -200 -369 -501 -464 -524 -93 -514 -125 -185 -148 -31 -237 -85 -307 -246 -49 -108 -270 238 104 86 186 -168 650 102 203 246 467 41 239 468 230 620 493 682 -100 -17 314 -34 -347 -461 -798 -684 -495 -524 -30 -492 -437 -439 -875 -116 364 465 547 564 339 312 488 748 394 805 829 827 872 254 345 -106 177 24 629 324 357 -430 -339 -267 -801 -361 -197 140 698 790 38 -278 -1058 -1642 -1443 -1787 -886 -772 -399 -224 -222 280 746 959 905 1126 606 1445 148 -814 -654 -85 -637 442 451 -489 -609 -565 -233 -146 63 -62 -181 -328 -673 238 786 1239 -37 659 -445 -877 250 -677 -256 83 614 1169 1740 895 63 505 443 251 698 -175 -190 228 -73 -660 -671 -634 -309 -563 SS 20210719T075201.4Z 7870.327795 221 1 49.90 2 52.59 105.94 142.65 22.27 0.00 1 0.00 1 0 17 1.368e-02 5.464e-03 1.032e-02 3.075e-03 2.517911e-01 1.626316e-03 3.336425e-03 -6.000000e+00 8.327471e-03 233.92 -2.00 3.88 -2.00 317.51 0.00e+00 4.716814e-04 2.199871e-04 6.195306e-05 -6.000000e+00 3.276443e-04 282.77 -2.00 20.00 -2.00 317.18 0.00e+00 1.642 0.000 302.00 328.00 3 5.8501e+00 4.3437e-03 2.2257e-02 -6.0000e+00 2.1143e-02 5.5663e-02 4.8293e-03 1.4702e-02 -6.0000e+00 2.2877e-02 2.3783e-04 2.9445e-03 7.1878e-03 -6.0000e+00 1.3384e-02 -4.6021e-03 1.4364e-03 2.0038e-03 -6.0000e+00 5.4783e-03 2.1222e-04 -1.0629e-04 9.6938e-05 2.5140e-05 -6.0000e+00 4.1140e-04 2.1080e-03 1.8837e-05 10 0 0 10 0 0 99.99 22.35 0.27 0.00211 0.00131 20 4 1 5 0 2494.673 25.39 20.00 22.35 25.81 25.6 1001.35 -3620 -350 -3980 219 -4710 5469 -6400 4738 -969 757 -4506 -980 -1612 -2624 1066 -2116 3353 -1358 288 1139 -650 961 -74 234 -623 862 -1269 1037 -450 -159 442 1388 811 -1552 -624 49 417 -881 -503 -1184 -784 -607 -158 390 -150 -196 -1687 -477 -1122 1552 230 2320 863 -20 688 61 1959 -346 991 533 1086 393 1344 1207 8 604 -581 129 -592 522 489 178 135 142 -124 -651 -438 -1023 -41 -568 -623 -1238 -1500 -913 -1161 -562 -194 55 138 438 269 721 91 370 172 19 840 29 326 -413 -139 -899 -345 -193 -783 -533 -632 147 61 825 225 520 -27 -204 14 464 294 -318 -37 -568 -371 -231 61 216 548 157 208 767 326 408 91 251 100 569 82 -264 100 499 -42 -567 -279 -519 -232 -378 -38 -460 23 -477 484 -666 491 -116 94 -590 -128 -234 -437 193 -431 682 -300 65 263 -156 228 -18 59 -168 236 -352 269 -112 -39 112 375 235 -470 -181 14 127 -313 -209 -568 -408 -331 -88 219 -85 -110 -950 -259 -605 821 128 1342 534 -13 459 42 1337 -241 675 363 755 291 1056 997 7 477 -435 94 -452 432 438 167 127 131 -108 -523 -322 -720 -29 -445 -540 -1175 -1518 -963 -1295 -661 -239 69 175 539 314 778 92 359 172 20 980 37 436 -556 -179 -1095 -400 -226 -972 -695 -858 205 89 1251 357 836 -43 -307 20 618 386 -429 -52 -850 -570 -355 92 314 765 211 269 976 432 570 133 376 152 889 134 -452 176 888 -76 -1013 -485 -881 -385 SS 20210719T075635.2Z 7870.330964 224 1 1.70 2 51.93 107.00 142.41 23.93 0.00 1 0.00 1 0 17 1.160e-02 7.665e-03 1.124e-02 5.878e-03 2.462864e-01 3.155801e-03 3.290141e-03 -6.000000e+00 7.060536e-03 233.92 -2.00 3.88 -2.00 315.95 0.00e+00 -5.348643e-04 2.957039e-04 3.721593e-05 -6.000000e+00 2.778612e-04 282.77 -2.00 20.00 -2.00 315.64 0.00e+00 1.618 0.000 302.00 328.00 3 4.0659e+00 8.2885e-03 2.1807e-02 -6.0000e+00 1.7926e-02 2.6027e-02 9.1707e-03 1.4310e-02 -6.0000e+00 1.9398e-02 -2.8821e-03 5.2598e-03 6.9685e-03 -6.0000e+00 1.1348e-02 -5.1498e-04 2.3565e-03 1.9186e-03 -6.0000e+00 4.6442e-03 1.3309e-03 -3.1500e-04 1.8021e-04 2.6402e-05 -6.0000e+00 3.4893e-04 1.5494e-03 -7.1265e-05 12 9 1 12 1 1 999.00 22.35 0.18 0.00155 -0.00082 1 13 1 5 0 762.051 25.47 19.99 22.35 25.82 25.5 1001.17 -1149 900 -1003 -2465 -2186 899 -257 -974 2884 -3520 3503 -367 2491 -1556 1926 -4247 515 1737 -2488 -1161 935 2089 -1328 286 364 -145 -490 -423 874 521 1922 285 2653 -1509 337 -1875 -849 1075 371 -653 -1864 232 -1958 874 -651 -33 -1267 -1091 214 723 -252 2011 1691 195 1212 -112 1440 1203 288 855 1108 -78 118 1319 -546 1346 -312 -277 1369 1023 -1053 191 -526 -820 -834 -376 -761 -103 216 1093 -304 -1010 -1635 -895 -1627 -1384 137 -146 -725 224 65 622 252 1322 820 111 779 360 -871 -610 91 102 113 634 -490 104 -681 -20 -445 224 347 -1 122 -216 520 1148 118 -12 -396 -667 -1033 -123 166 373 -144 432 1434 1175 347 1011 176 -755 -422 126 578 666 -202 -318 89 -699 69 -843 -117 -237 194 -223 -528 -435 169 -51 -213 664 -886 840 -93 666 -473 624 -1533 186 639 -969 -459 369 821 -544 120 159 -65 -219 -183 358 211 792 125 1198 -712 153 -858 -407 563 219 -426 -1301 165 -1436 634 -476 -24 -918 -776 150 505 -182 1488 1299 156 982 -93 1196 1001 239 706 928 -68 108 1234 -517 1217 -273 -238 1202 957 -1050 194 -540 -829 -813 -346 -663 -86 183 980 -294 -1035 -1751 -985 -1863 -1643 166 -181 -904 273 77 696 269 1371 869 124 917 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