File name: Pandora21s1_Bremen_20220123_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T095259.4Z 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_20220123_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: 20220123 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 20220123T092444.8Z 8058.392185 343 1 50.35 2 77.89 148.35 87.17 267.05 0.00 1 0.00 1 0 25 3.511e-01 1.240e-02 2.244e-01 7.019e-03 6.516857e-01 3.875118e-03 8.162725e-03 -6.000000e+00 2.082509e-01 221.94 -2.00 3.88 -2.00 321.09 0.00e+00 5.521445e-04 1.451923e-03 6.831221e-04 -6.000000e+00 8.798693e-03 265.76 -2.00 20.00 -2.00 320.77 0.00e+00 4.629 0.002 302.00 328.00 3 3.3032e+00 1.1523e-02 5.8870e-02 -6.0000e+00 5.1491e-01 1.3284e-01 1.5426e-02 3.7882e-02 -6.0000e+00 5.6308e-01 -9.3648e-02 1.7480e-02 2.1297e-02 -6.0000e+00 3.3146e-01 3.0290e-02 8.8757e-03 7.1827e-03 -6.0000e+00 1.3880e-01 9.6071e-05 -1.5379e-03 2.2161e-04 9.7414e-05 -6.0000e+00 1.0765e-02 -1.1517e-02 -4.8611e-05 12 8 8 10 0 0 99.94 22.12 0.30 -0.01152 -0.02307 101 20 1 5 0 498.281 25.17 20.00 22.12 13.78 27.7 1037.52 -70677 -116945 900000 -131091 900000 -184813 900000 -220334 -76061 -8331 -58660 12109 -76031 900000 -41868 900000 -2487 900000 -16432 18760 17907 -19251 -7087 -35892 -6946 -35049 82318 -37051 45240 1160 65188 23051 -5375 1053 -7172 36305 -18442 24465 -13635 37318 9801 238 2309 -1451 9771 2564 20628 -565 19709 4022 10943 5756 3965 5696 5348 4538 -4668 10603 -5875 10697 -2391 8705 -2609 348 46 1872 1830 -1865 3329 -2012 4738 300 38 1301 -1249 1757 -4763 7678 -2791 233 -3294 884 -2306 275 -1404 -2070 -1391 -1029 944 -1029 1273 -716 480 1112 1426 240 -804 1630 -1168 549 -1048 208 -489 794 -910 -1029 162 -1132 404 -1434 1402 -795 642 -293 42 817 -521 544 -357 -151 -217 487 -259 -54 58 602 1279 721 834 -579 969 -325 684 -519 193 -297 119 192 -238 -250 -375 636 -638 -483 -1290 900000 -1750 900000 -3694 900000 -7082 -803 -57 -624 83 -1263 900000 -778 900000 -44 900000 -380 339 336 -502 -174 -1208 -199 -1341 1197 -1457 889 35 1289 753 -252 50 -367 1288 -1107 1175 -1075 2229 833 24 237 -158 979 278 1954 -66 2021 503 1405 856 657 1005 1007 902 -1042 2069 -1309 2014 -516 1825 -677 98 14 555 537 -579 1065 -762 1855 129 16 535 -488 608 -1629 2323 -1008 94 -1599 469 -1393 173 -955 -1504 -1055 -803 725 -785 900 -485 308 716 993 192 -744 1670 -1343 637 -1190 214 -465 726 -882 -1057 174 -1301 495 -1971 2066 -1277 1039 -469 64 1185 -755 800 -554 -243 -354 768 -396 -79 83 824 1687 965 1209 -948 1720 -625 1370 -1105 433 -703 289 474 -589 -607 -871 1384 -1347 SS 20220123T093441.8Z 8058.399094 345 1 50.10 2 77.13 150.62 88.65 268.96 0.00 1 0.00 1 0 25 2.527e-01 5.950e-03 1.694e-01 2.982e-03 6.203815e-01 1.593834e-03 7.797014e-03 -6.000000e+00 1.474337e-01 221.94 -2.00 3.88 -2.00 320.84 0.00e+00 1.572541e-03 5.696434e-04 5.909424e-04 -6.000000e+00 6.052662e-03 265.76 -2.00 20.00 -2.00 320.53 0.00e+00 4.375 0.002 302.00 328.00 3 2.5601e+00 4.6499e-03 5.5642e-02 -6.0000e+00 3.6406e-01 1.0507e-01 6.0966e-03 3.5723e-02 -6.0000e+00 3.9708e-01 -4.8446e-02 6.8438e-03 1.9889e-02 -6.0000e+00 2.3442e-01 5.2891e-03 3.5143e-03 6.6347e-03 -6.0000e+00 9.8575e-02 2.6581e-04 -9.8346e-04 9.2031e-05 8.6822e-05 -6.0000e+00 7.5738e-03 -1.2387e-02 7.0652e-06 10 0 0 10 0 0 99.92 22.12 0.15 -0.01239 -0.01978 107 21 1 5 0 468.107 25.17 20.00 22.12 13.98 27.7 1038.47 -53984 -702 -139761 -66834 -83928 -80136 -94164 36262 68194 -105454 103809 -57363 -14055 -21089 -16846 -39810 7478 -1469 -596 11656 -1240 25385 4548 4175 -32509 -2357 -21860 10053 -8220 -8795 14092 3962 13242 -16084 2300 -20606 1682 -2139 367 1424 -1693 1748 -7487 3445 -3405 2417 -151 1067 -649 2979 2233 521 3144 -554 3164 -1422 3199 -536 2072 1511 463 2623 1861 925 556 755 -343 2836 1202 556 361 718 963 -459 1210 -525 1459 -303 1112 -472 -330 -1140 -1531 -1177 -1458 -969 -1101 314 -241 198 690 1295 938 950 1039 21 914 129 -135 -216 -142 -369 385 288 -1334 -536 -1003 -49 -300 75 -269 -391 22 0 205 236 732 -137 -23 -374 -541 -18 64 25 410 274 326 1339 26 472 -83 25 328 290 69 -244 83 11 -181 -259 -136 -165 35 -331 -3 -2214 -569 -793 -724 -1020 141 224 -1697 302 -733 -149 -292 -273 -915 129 -30 -13 241 -30 490 109 108 -1242 -73 -823 285 -272 -308 459 164 573 -970 118 -1294 93 -141 28 129 -178 193 -947 406 -435 298 -20 140 -91 427 352 92 598 -118 693 -340 755 -132 488 353 111 668 533 297 190 258 -117 956 444 232 167 348 468 -217 523 -210 532 -111 436 -216 -175 -689 -1020 -834 -1098 -770 -920 267 -207 165 542 951 661 673 794 18 897 144 -164 -268 -169 -408 390 285 -1396 -589 -1161 -59 -392 107 -419 -645 36 0 322 354 1078 -208 -37 -619 -904 -29 101 39 604 391 451 1852 39 781 -150 48 657 607 153 -567 197 27 -439 -617 -310 -360 74 SS 20220123T094031.4Z 8058.403141 349 1 50.00 2 76.71 151.96 89.52 270.07 0.00 1 0.00 1 0 25 1.826e-01 4.757e-03 6.461e-02 1.591e-03 6.022402e-01 8.456754e-04 7.629571e-03 -6.000000e+00 1.065157e-01 221.94 -2.00 3.88 -2.00 320.69 0.00e+00 1.651325e-03 2.938106e-04 5.467143e-04 -6.000000e+00 4.371873e-03 265.76 -2.00 20.00 -2.00 320.39 0.00e+00 4.245 0.002 302.00 328.00 3 1.6931e+00 2.4510e-03 5.4024e-02 -6.0000e+00 2.6302e-01 8.0990e-02 3.1617e-03 3.4648e-02 -6.0000e+00 2.8686e-01 -3.7585e-02 3.4930e-03 1.9112e-02 -6.0000e+00 1.6935e-01 2.4888e-03 1.8060e-03 6.3082e-03 -6.0000e+00 7.1230e-02 7.3641e-04 -7.8067e-04 4.8866e-05 8.3171e-05 -6.0000e+00 5.4703e-03 -1.3068e-02 3.9853e-05 10 0 0 10 0 0 98.88 22.12 0.20 -0.01307 -0.01893 240 47 1 5 0 208.282 25.17 20.00 22.12 14.17 27.9 1039.79 -105655 -23266 -50568 15208 -91751 -16153 -66083 -47875 -52314 -60822 -35886 -60544 -14550 -44948 9425 -22902 3546 -13219 -7230 -5373 -7295 10667 -14951 6611 -13249 3505 -11912 762 -3117 -6726 356 -4818 4936 -3465 2978 -2997 943 -1571 -1264 -2052 -1365 1838 -2033 2247 -1584 1062 -206 709 -1603 1611 978 -427 2877 218 1300 -176 1496 -488 894 1281 1709 2401 977 1393 -25 2039 380 1416 958 429 -142 10 31 -669 204 -495 447 -984 497 -367 -713 -1044 -1783 -1101 -1453 -609 -441 207 207 481 669 747 989 954 1105 418 820 134 -99 -284 -130 -307 545 354 -874 -557 -843 -142 -96 -74 -231 -264 -131 -198 113 391 961 264 229 -491 -443 -82 -125 -132 39 197 685 1071 76 271 59 54 47 248 -75 -235 47 60 -151 -228 -63 -157 187 -1097 -135 -418 71 -996 -88 -632 -433 -518 -719 -385 -867 -161 -858 130 -487 71 -322 -180 -139 -200 248 -469 181 -482 115 -465 26 -109 -258 15 -230 246 -202 163 -174 57 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