File name: Pandora133s1_Heidelberg_20241017_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T133826.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20241017_L1_smca1c4d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20241017 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 227 368 Nominal wavelengths inside fitting window [nm]: 305.1331 305.2741 305.4152 305.5562 305.6973 305.8383 305.9793 306.1203 306.2613 306.4023 306.5432 306.6842 306.8251 306.9661 307.1070 307.2479 307.3888 307.5297 307.6705 307.8114 307.9523 308.0931 308.2339 308.3747 308.5155 308.6563 308.7971 308.9379 309.0787 309.2194 309.3601 309.5009 309.6416 309.7823 309.9230 310.0636 310.2043 310.3450 310.4856 310.6262 310.7669 310.9075 311.0481 311.1886 311.3292 311.4698 311.6103 311.7509 311.8914 312.0319 312.1724 312.3129 312.4534 312.5939 312.7343 312.8748 313.0152 313.1556 313.2960 313.4364 313.5768 313.7172 313.8576 313.9979 314.1383 314.2786 314.4189 314.5592 314.6995 314.8398 314.9801 315.1203 315.2606 315.4008 315.5410 315.6813 315.8215 315.9617 316.1018 316.2420 316.3822 316.5223 316.6624 316.8026 316.9427 317.0828 317.2229 317.3629 317.5030 317.6431 317.7831 317.9231 318.0631 318.2031 318.3431 318.4831 318.6231 318.7631 318.9030 319.0429 319.1829 319.3228 319.4627 319.6026 319.7424 319.8823 320.0222 320.1620 320.3018 320.4417 320.5815 320.7213 320.8611 321.0008 321.1406 321.2803 321.4201 321.5598 321.6995 321.8392 321.9789 322.1186 322.2583 322.3979 322.5376 322.6772 322.8168 322.9564 323.0960 323.2356 323.3752 323.5148 323.6543 323.7939 323.9334 324.0729 324.2124 324.3519 324.4914 324.6309 324.7703 324.9098 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20241017T064732.4Z 9056.283014 245 1 47.00 2 82.04 114.73 100.61 297.36 0.00 1 0.00 1 0 25 4.969e-01 9.892e-03 2.130e-01 3.367e-03 6.825733e-01 1.833735e-03 8.277573e-03 -6.000000e+00 2.821245e-01 224.39 -2.00 3.74 -2.00 321.64 0.00e+00 4.905065e-03 9.583764e-04 3.548886e-03 -6.000000e+00 1.228518e-02 276.90 -2.00 20.00 -2.00 321.18 0.00e+00 6.748 0.006 302.00 328.00 3 8.5182e-01 6.5644e-03 7.7675e-02 -6.0000e+00 6.9685e-01 9.6428e-02 9.5998e-03 4.3261e-02 -6.0000e+00 7.5857e-01 -1.7988e-01 1.0523e-02 2.6497e-02 -6.0000e+00 4.5136e-01 7.3797e-02 4.9053e-03 1.0557e-02 -6.0000e+00 1.9360e-01 1.7616e-04 -2.0298e-04 1.0025e-04 1.6699e-04 -6.0000e+00 1.3583e-02 7.8728e-03 0.0000e+00 12 8 8 10 0 0 95.40 22.36 0.17 0.00787 0.00635 212 61 4 8 0 219.570 19.99 22.36 20.58 26.32 26.51 1.6 872.26 -211867 -7914 -205159 -129165 -218598 -72503 -216307 -101307 -129277 -78472 -186288 -46425 -112722 -94371 -96402 33490 -6807 43959 -49365 3858 -52887 -46731 -59664 -32793 -62018 -16278 -52515 -8397 -36898 -10608 -32669 9153 -23806 -4682 -31687 18650 -34316 432 -9553 4789 729 -822 -1016 3498 3206 8878 -5649 2619 1304 7184 6748 14551 4248 8971 4960 5351 4497 2873 1861 1584 4234 2647 6227 4571 4066 2935 2651 2900 3074 4100 2889 3502 1350 296 -1053 -3085 -5344 -3799 -2117 -1514 -423 106 -2041 -1025 44 280 492 1345 354 524 3068 -959 -1032 -1693 -391 -1524 837 807 -68 -487 -1202 -2439 -725 -1400 -1534 -1727 -636 -491 487 692 687 -154 58 -979 -724 -32 -111 319 768 125 1151 720 1075 262 656 -1076 447 282 119 -91 -122 -804 -559 225 139 -204 896 323 137 -92 -246 -1039 -2150 -26 -2266 -678 -2414 -238 -2712 -499 -934 -361 -2502 -213 -1332 -1208 -1439 176 -60 260 -794 38 -920 -782 -1234 -560 -1370 -262 -1207 -121 -751 -199 -933 204 -760 -135 -1155 441 -1454 17 -470 237 41 -50 -65 219 208 562 -430 194 105 605 647 1429 508 1106 666 743 636 404 259 226 639 464 1210 986 882 637 594 701 855 1275 968 1174 442 90 -293 -807 -1428 -1100 -718 -606 -194 54 -1045 -556 25 170 309 849 221 306 1781 -557 -609 -1115 -271 -1249 778 837 -73 -500 -1134 -2104 -599 -1244 -1456 -1734 -681 -575 635 1011 1084 -250 92 -1494 -1054 -46 -167 506 1275 208 1844 1120 1612 381 920 -1489 627 445 213 -181 -243 -1706 -1254 538 354 -533 2363 861 353 -224 -567 -2323 SS 20241017T065536.2Z 9056.288613 249 1 6.16 2 80.86 116.35 101.69 298.97 0.00 1 0.00 1 0 25 3.811e-01 2.812e-02 3.240e-01 1.825e-02 6.214859e-01 9.874786e-03 8.654824e-03 -6.000000e+00 2.211494e-01 224.39 -2.00 3.74 -2.00 321.16 0.00e+00 5.693616e-03 4.282652e-03 6.924988e-03 -6.000000e+00 1.025540e-02 276.90 -2.00 20.00 -2.00 320.64 0.00e+00 5.974 0.004 302.00 328.00 3 2.8369e+00 3.1875e-02 7.5256e-02 -6.0000e+00 5.5032e-01 3.9358e-01 4.0593e-02 5.4686e-02 -6.0000e+00 6.0338e-01 -5.3146e-01 3.6490e-02 2.4771e-02 -6.0000e+00 3.5448e-01 2.2795e-01 1.7851e-02 5.7959e-03 -6.0000e+00 1.4977e-01 4.7473e-05 -3.6267e-03 5.4293e-04 1.5091e-04 -6.0000e+00 1.0696e-02 3.4257e-02 0.0000e+00 12 9 9 12 1 1 -25.40 22.37 0.40 0.03426 0.00700 3 9 1 8 0 1538.510 20.00 22.37 20.43 26.32 26.51 1.6 869.74 -161895 900000 -47012 -2576 -164267 900000 -117834 900000 -167421 900000 -63601 -27362 2672 50586 -74315 900000 37153 900000 -56000 119187 -16911 27043 -48630 28381 -46659 52411 -11408 29205 -47782 87104 11640 900000 13906 80491 -25628 75119 31963 73476 26121 30566 -7678 54502 8910 32674 22244 50958 23730 23650 11768 36214 3166 44816 21073 21226 23244 21955 5219 18921 3140 8936 7751 770 4850 14717 6346 20169 6730 980 4647 9044 347 4111 9565 241 -1377 -3558 -11991 -5302 -4899 1952 -7909 1262 -8111 -4766 -1274 -3245 -1310 236 1518 -1789 -2413 -9001 163 -270 -3665 -2699 -224 1917 787 -586 -1403 -4459 -4503 -3041 245 -3971 1371 -2240 2535 1249 2453 -200 1456 -2356 -220 1004 1330 -914 1735 2774 1343 1771 1681 743 851 -1390 2948 -115 1022 -717 360 -1803 -114 -747 1244 -1205 1409 -830 323 -1053 390 -1063 -8046 900000 -835 -46 -7223 900000 -3540 900000 -9288 900000 -1377 -500 47 899 -3974 900000 831 900000 -3364 2118 -694 728 -2811 820 -2831 1257 -487 813 -2841 1637 529 900000 780 2316 -1913 2272 1640 3009 1976 2507 -969 4010 1035 3037 2325 4130 2523 2595 1506 4016 528 5501 3476 3707 4093 4001 1112 3436 644 1767 1672 199 1345 4008 1833 5018 1921 313 1630 3369 148 1702 3603 92 -481 -1173 -4195 -1898 -2017 882 -4447 719 -5341 -3205 -887 -2426 -985 178 1112 -1268 -1615 -6125 102 -185 -2946 -2471 -227 2090 884 -640 -1425 -4266 -4251 -2999 249 -4401 1546 -2803 3342 1827 3736 -317 2222 -3568 -313 1416 1930 -1427 2753 4414 2104 2694 2495 1075 1197 -1933 4044 -179 1716 -1327 696 -3714 -242 -1675 2870 -2899 3363 -2018 761 -2405 842 -2255 SS 20241017T070949.4Z 9056.298488 254 1 48.79 2 78.81 119.25 103.55 301.85 0.00 1 0.00 1 0 17 2.124e-01 7.350e-03 3.541e-02 1.310e-03 5.314113e-01 6.828824e-04 6.600401e-03 -6.000000e+00 1.205726e-01 224.39 -2.00 3.74 -2.00 320.69 0.00e+00 2.489909e-03 2.693643e-04 2.069559e-03 -6.000000e+00 5.250233e-03 276.90 -2.00 20.00 -2.00 320.15 0.00e+00 4.976 0.003 302.00 328.00 3 1.1181e+00 2.0995e-03 5.7183e-02 -6.0000e+00 2.9782e-01 9.8752e-03 2.6839e-03 3.1275e-02 -6.0000e+00 3.2419e-01 -2.7909e-02 2.6286e-03 1.7217e-02 -6.0000e+00 1.9290e-01 4.4681e-03 1.3167e-03 5.8502e-03 -6.0000e+00 8.2742e-02 7.9884e-04 -1.3656e-04 3.9214e-05 7.8547e-05 -6.0000e+00 5.8050e-03 7.7640e-03 0.0000e+00 11 9 0 11 8 0 98.74 22.37 0.16 0.00776 0.00674 462 133 2 8 0 100.790 19.98 22.37 20.04 26.32 26.51 1.7 869.29 -93526 -53510 -51612 -80116 -82625 -69429 -80754 -61755 -54077 -70555 -61201 -46135 -38439 -22951 -17298 -13815 -9690 -10618 -11079 -5104 -10147 -11239 -10164 -5828 -11206 -10174 -13885 -11895 -12359 -3456 -4591 -2544 -2307 -7854 -9913 -7128 -9962 -975 -633 1300 288 226 357 809 911 2540 -687 1433 161 1634 1813 3082 1415 2654 1742 1510 1002 524 -206 754 1512 2753 3615 3308 523 989 -490 450 1567 1515 1127 1099 650 517 -1176 -1507 -3212 -1855 -1646 -1141 -1283 -1088 -2024 -1011 -208 269 330 1316 881 566 1136 -595 -1368 -581 -630 -216 1046 881 -118 -261 -1139 -1670 -1003 -808 -1545 -1070 -656 -339 506 973 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