File name: Pandora21s1_Bremen_20221213_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T131341.5Z 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_20221213_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: 20221213 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 20221213T112456.1Z 8382.475649 413 1 49.97 2 76.25 181.42 90.85 304.34 0.00 1 0.00 1 0 25 2.022e-01 5.056e-03 9.982e-02 2.258e-03 6.330603e-01 1.203968e-03 8.029617e-03 -6.000000e+00 1.174635e-01 220.02 -2.00 3.88 -2.00 320.84 0.00e+00 1.612722e-03 4.348299e-04 6.166810e-04 -6.000000e+00 4.849540e-03 267.76 -2.00 20.00 -2.00 320.55 0.00e+00 4.113 0.001 302.00 328.00 3 2.2685e+00 3.5103e-03 5.4054e-02 -6.0000e+00 2.8890e-01 6.7813e-02 4.6672e-03 3.6368e-02 -6.0000e+00 3.1517e-01 -3.0221e-02 5.3305e-03 2.0534e-02 -6.0000e+00 1.8632e-01 6.1305e-04 2.7315e-03 6.9457e-03 -6.0000e+00 7.8910e-02 4.4927e-04 -1.0349e-03 6.8678e-05 9.1011e-05 -6.0000e+00 6.0550e-03 -3.1150e-02 6.8295e-05 10 0 0 10 0 0 99.84 21.96 0.25 -0.03115 -0.03893 197 39 1 5 0 253.433 25.07 19.99 21.96 6.07 29.8 1017.10 -113156 -51340 -69653 -45635 -51310 -64724 -51236 -52408 -52930 -73837 -54014 -71655 -37601 -21585 -26545 8713 -9657 -1302 -15556 -17684 -16346 -4316 -23245 7505 -3687 -9768 -2119 -741 -5762 -11422 -413 -304 6578 -753 5743 -8031 -3400 5029 -1937 -1910 -1853 72 -3026 1178 203 -116 -1275 -366 3357 -104 1608 -440 2295 1162 787 1345 121 409 -511 1644 1475 1403 562 1925 106 676 -56 957 1618 725 188 178 514 -152 176 -162 569 304 552 32 -859 -1198 -1614 -1098 -1429 -837 -443 -18 -38 438 879 910 1093 1206 1154 451 722 263 -426 -327 -339 62 622 264 -651 -1002 -977 -293 -39 -129 -27 -321 54 -183 512 650 860 113 -47 -717 -588 -316 -193 -50 -212 -54 516 1222 576 306 273 210 337 197 53 -442 -16 -37 -287 -227 -167 -7 320 -953 -293 -514 -275 -312 -435 -322 -373 -427 -787 -519 -895 -417 -259 -410 117 -174 -24 -351 -430 -408 -99 -649 172 -101 -300 -63 -22 -175 -380 -14 -12 283 -38 274 -430 -185 291 -143 -167 -184 8 -351 136 24 -14 -160 -47 435 -15 245 -76 424 236 171 305 29 98 -121 376 342 349 157 592 36 229 -19 324 582 295 85 86 249 -72 77 -65 209 110 213 14 -446 -710 -1062 -771 -1065 -657 -364 -16 -32 365 694 675 771 849 869 384 699 289 -515 -408 -412 69 637 261 -671 -1096 -1121 -353 -50 -182 -42 -528 91 -304 810 983 1274 171 -75 -1188 -985 -519 -306 -77 -316 -78 717 1687 854 502 490 402 675 413 118 -1026 -39 -91 -698 -545 -384 -16 672 SS 20221213T113008.5Z 8382.479266 416 1 7.28 2 76.28 182.65 91.49 305.34 0.00 1 0.00 1 0 25 2.541e-01 7.296e-03 1.884e-01 4.233e-03 6.330218e-01 2.217640e-03 8.127628e-03 -6.000000e+00 1.477497e-01 220.02 -2.00 3.88 -2.00 320.30 0.00e+00 1.945476e-03 7.149316e-04 4.980462e-04 -6.000000e+00 6.197447e-03 267.76 -2.00 20.00 -2.00 320.03 0.00e+00 4.121 0.001 302.00 328.00 3 2.3843e+00 6.2417e-03 5.3865e-02 -6.0000e+00 3.6323e-01 8.1888e-02 7.8497e-03 3.5729e-02 -6.0000e+00 3.9632e-01 -6.0933e-02 8.3899e-03 1.9566e-02 -6.0000e+00 2.3416e-01 1.6646e-02 4.4130e-03 6.3991e-03 -6.0000e+00 9.9289e-02 3.9700e-04 -1.1263e-03 1.2285e-04 8.0231e-05 -6.0000e+00 7.6958e-03 -3.0693e-02 7.8910e-05 12 9 1 12 1 1 99.09 21.96 0.25 -0.03069 -0.03916 16 24 1 5 0 417.721 25.07 20.03 21.96 6.44 29.7 1018.48 6685 -123548 132151 -83773 900000 109221 -78689 -43423 -41390 -9162 -104141 7085 -79220 33734 -36905 -16650 -796 -4072 43838 -21183 13637 -22017 15593 -19856 13082 -20008 -15922 -1727 -3829 6893 -22512 4857 -11390 6715 -8949 1487 6921 -4143 -1393 -5342 1582 -2580 2930 472 -169 -826 3158 5215 455 2652 -199 4477 -1216 4615 -366 1492 -262 -366 2515 910 1491 -977 2396 381 2052 -700 1331 -178 553 1120 648 530 -2073 809 -137 2424 940 998 -1072 -669 253 -2341 -901 -2486 -254 -434 -180 -647 -104 886 759 706 278 1288 594 1161 206 466 -519 -619 -13 -211 1213 -252 -635 -1345 -545 -682 -195 -293 321 -395 -517 291 -219 974 287 614 -154 -275 -614 -420 421 -254 51 -103 735 1375 428 437 211 135 153 291 -105 125 42 76 -363 -451 -367 -258 327 28 -1915 545 -1003 900000 451 -884 -396 -417 -76 -2153 60 -1748 340 -861 -387 -18 -106 810 -734 360 -809 425 -793 423 -920 -726 -69 -155 266 -1273 252 -784 428 -663 100 467 -353 -138 -651 206 -379 433 74 -27 -135 511 851 81 490 -41 975 -305 1190 -105 440 -81 -114 753 272 448 -320 842 151 857 -303 559 -77 251 562 358 309 -1247 460 -74 1177 430 448 -521 -365 156 -1658 -688 -2039 -215 -387 -167 -619 -99 828 681 601 228 1047 514 1105 220 550 -663 -813 -16 -254 1346 -274 -712 -1587 -664 -870 -263 -423 496 -645 -862 477 -349 1486 433 939 -244 -450 -1018 -686 667 -394 77 -152 1048 1953 645 712 370 248 293 574 -217 266 93 167 -804 -990 -782 -529 647 SS 20221213T113452.6Z 8382.482553 419 1 5.43 2 76.32 183.77 92.06 306.26 0.00 1 0.00 1 0 25 3.462e-01 1.112e-02 2.199e-01 7.341e-03 6.389999e-01 3.846727e-03 8.178173e-03 -6.000000e+00 2.012406e-01 220.02 -2.00 3.88 -2.00 320.28 0.00e+00 1.897558e-03 1.226834e-03 4.993361e-04 -6.000000e+00 8.431890e-03 267.76 -2.00 20.00 -2.00 320.01 0.00e+00 4.132 0.002 302.00 328.00 3 3.0267e+00 1.0823e-02 5.4110e-02 -6.0000e+00 4.9493e-01 1.2964e-01 1.3502e-02 3.5903e-02 -6.0000e+00 5.3985e-01 -1.0272e-01 1.4135e-02 1.9573e-02 -6.0000e+00 3.1929e-01 3.0440e-02 7.4358e-03 6.3818e-03 -6.0000e+00 1.3571e-01 2.0208e-04 -7.6806e-04 2.1239e-04 7.9942e-05 -6.0000e+00 1.0464e-02 -3.2206e-02 1.5129e-04 12 9 9 12 1 1 91.49 21.96 0.23 -0.03221 -0.03798 5 11 1 5 0 875.043 25.07 20.04 21.96 6.83 29.7 1020.73 -120100 67214 -115320 900000 80897 -107445 184467 -153201 62917 -119006 -103903 -35956 -15302 -77178 -51680 -23617 -33475 13275 -38851 -4583 -25062 16137 -17681 20735 -3220 -5759 35247 -3213 70444 11990 43598 -154 12073 6245 12024 11931 -9144 15663 -12427 8765 -7082 -9 -3178 2717 7491 2386 8136 498 4644 -8174 5055 7132 2892 1349 713 1501 713 -2251 1206 5335 -1280 7590 -3099 3163 419 3033 1298 -101 4331 675 2043 -370 -678 -107 -130 -906 -561 1524 12 352 -3142 -908 -2973 -2010 -2531 -2120 -779 -640 1364 440 1495 -52 1133 1865 1673 607 62 1176 -1100 -323 111 407 -537 -308 -360 -366 -1481 278 245 -318 -341 -271 -144 -55 485 117 981 317 703 -403 -929 -246 -294 102 -454 455 527 2004 944 -321 93 -381 772 277 -364 26 23 443 -288 -543 -262 -146 -57 -1708 481 -2014 900000 579 -1638 1320 -4064 450 -2848 -2326 -489 -207 -2243 -1476 -626 -1098 318 -1591 -146 -990 449 -684 611 -127 -246 1075 -137 1552 461 1430 -9 702 416 768 755 -738 1155 -1409 971 -1029 -1 -511 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