File name: Pandora133s1_Heidelberg_20260217_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20260217T234333.5Z 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 v1.8.88 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20260217_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: 20260217 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 20260217T105351.5Z 9544.454068 158 1 46.58 2 62.12 167.41 64.04 167.82 0.00 1 0.00 1 0 17 2.051e-01 1.765e-02 5.758e-02 5.557e-03 3.760256e-01 2.807889e-03 4.821096e-03 -6.000000e+00 1.163880e-01 224.06 -2.00 3.74 -2.00 319.29 0.00e+00 -2.848088e-03 6.531515e-04 1.145676e-03 -6.000000e+00 4.893039e-03 268.22 -2.00 20.00 -2.00 318.82 0.00e+00 2.128 0.000 302.00 328.00 3 5.7484e+00 7.6872e-03 2.9842e-02 -6.0000e+00 2.8812e-01 2.5465e-02 8.8632e-03 2.2444e-02 -6.0000e+00 3.1404e-01 -2.3746e-02 6.7483e-03 1.0398e-02 -6.0000e+00 1.8597e-01 7.9879e-03 3.5893e-03 3.9754e-03 -6.0000e+00 7.9368e-02 1.2948e-04 -7.4196e-04 1.6772e-04 3.8550e-05 -6.0000e+00 5.6029e-03 -1.8074e-03 0.0000e+00 12 8 8 10 0 0 99.99 22.01 0.14 -0.00181 -0.00738 263 76 1 8 0 177.080 19.98 22.01 14.31 26.00 26.21 1.9 833.58 -4919 -11287 -23607 41360 -42730 41013 -38948 21542 -2039 7748 -1456 10606 569 10077 -8542 6989 3521 12504 -5031 1348 214517 -1749 6767 11681 5201 3300 2314 5110 3053 11065 5774 5665 1282 1013 -7568 3597 -4717 6311 1172 -36232 5015 5620 4123 -1007 5235 3169 -4172 -301 641 3395 1273 3949 573 1506 3621 2877 3753 4791 2441 948 1345 1400 1715 1741 -2037 28 -1305 -504 2098 2031 -204 3008 1706 1081 1468 -2487 -3240 -2229 -2381 -2318 -1940 -82 -2286 -1083 356 -150 -79 782 517 224 2901 -620 -1474 46 155 -1300 2256 855 -464 -1462 -1617 -2055 -482 -915 -1364 -2255 -46 -817 771 557 1020 -587 1201 -1016 -539 -62 318 345 1233 592 623 394 1077 -265 1673 -604 198 166 750 -787 -299 -1049 -29 123 188 -291 1536 -262 19 -147 -420 -902 -184 -478 -1116 1005 -2029 965 -2078 761 -99 358 -74 524 35 660 -751 579 318 1087 -539 140 3272 -190 729 1302 652 442 303 605 353 1253 751 804 205 161 -1233 556 -889 1280 298 -14803 1496 1733 1316 -336 1636 1013 -1398 -97 207 1132 467 1517 241 665 1618 1334 1746 2183 1110 439 654 736 984 1045 -1220 16 -712 -281 1280 1380 -150 2191 1222 738 911 -1444 -1797 -1246 -1490 -1638 -1521 -69 -2061 -1024 357 -160 -86 868 562 231 2696 -552 -1278 41 150 -1420 2669 1109 -618 -1888 -1932 -2288 -524 -1061 -1698 -2961 -62 -1168 1165 899 1710 -991 1912 -1550 -769 -86 452 519 1938 962 999 623 1634 -391 2329 -820 265 235 1136 -1295 -514 -1851 -52 235 376 -602 3183 -560 39 -295 -819 -1707 SS 20260217T112253.7Z 9544.474232 175 1 0.54 2 61.41 175.43 63.26 175.48 0.00 1 0.00 1 0 17 3.212e-02 9.228e-03 1.917e-02 3.837e-03 3.728651e-01 1.927386e-03 4.754375e-03 -6.000000e+00 1.823119e-02 224.06 -2.00 3.74 -2.00 318.06 0.00e+00 1.462240e-03 3.276596e-04 4.057816e-04 -6.000000e+00 7.662222e-04 268.22 -2.00 20.00 -2.00 317.60 0.00e+00 2.080 0.000 302.00 328.00 3 2.0587e+00 5.1046e-03 2.8657e-02 -6.0000e+00 4.5132e-02 6.0435e-02 5.7616e-03 1.9943e-02 -6.0000e+00 4.9186e-02 -3.2175e-02 3.8298e-03 1.0140e-02 -6.0000e+00 2.9127e-02 7.0673e-03 2.0111e-03 3.1476e-03 -6.0000e+00 1.2436e-02 5.2901e-03 -1.0490e-03 1.0974e-04 3.3332e-05 -6.0000e+00 8.7727e-04 -4.6913e-03 0.0000e+00 12 9 1 12 1 1 -181.09 22.08 0.31 -0.00469 -0.01257 5 151 2 8 0 88.950 20.00 22.08 14.50 26.11 26.32 1.8 830.56 -4472 -5520 -12247 -7746 -10018 -7108 -11148 -7335 -3003 -5877 -11483 -6213 -3087 836 -4263 84 704 16197 2037 -1852 -4915 2212 -655 -3721 -4667 -284 -597 -1447 -4592 2233 1421 3034 937 -2984 -3164 -3807 -5603 1663 -239 1170 -1810 1406 -257 -370 -145 1887 -216 515 -742 2141 473 881 1992 2262 659 2104 -336 599 -842 2026 626 2362 1618 2156 -1690 -220 -1000 398 391 1055 928 1854 -105 434 -894 5 -3045 -1975 -1409 -1609 -1998 -1661 -2478 -476 -645 333 -149 741 716 410 791 -692 -1122 -490 -786 221 1410 887 -251 81 -679 -1478 -1721 -380 -1351 -836 -301 -22 535 834 685 170 344 -621 -74 199 73 660 867 124 721 1019 768 637 436 -166 -11 430 -217 -296 -574 -316 -705 -6 -477 28 600 737 129 -37 -419 -1064 -272 -367 -876 -489 -589 -412 -734 -522 -225 -467 -972 -545 -312 96 -590 12 106 2252 335 -327 -895 376 -121 -737 -978 -60 -123 -281 -894 440 308 703 242 -789 -786 -991 -1655 533 -91 493 -816 650 -122 -177 -69 898 -102 245 -359 1054 249 489 1147 1370 410 1320 -218 377 -527 1260 412 1648 1213 1666 -1307 -161 -715 287 307 899 822 1652 -92 367 -712 4 -2177 -1441 -1096 -1394 -1877 -1661 -2568 -505 -719 384 -177 877 841 462 846 -710 -1116 -501 -858 259 1770 1184 -341 106 -852 -1774 -2023 -465 -1746 -1098 -410 -31 785 1273 1072 267 524 -905 -103 276 103 958 1309 190 1097 1523 1134 914 604 -226 -15 602 -322 -454 -909 -508 -1165 -10 -844 51 1085 1347 235 -66 -729 -1815 SS 20260217T112920.5Z 9544.478709 178 1 0.92 2 61.34 177.23 63.17 177.19 0.00 1 0.00 1 0 25 2.178e-02 7.797e-03 1.505e-02 2.882e-03 3.718593e-01 1.448172e-03 4.706684e-03 -6.000000e+00 1.236897e-02 224.07 -2.00 3.74 -2.00 318.11 0.00e+00 9.834179e-04 2.499265e-04 3.340381e-04 -6.000000e+00 5.196825e-04 268.22 -2.00 20.00 -2.00 317.65 0.00e+00 2.076 0.000 302.00 328.00 3 2.0932e+00 3.8401e-03 2.8558e-02 -6.0000e+00 3.0621e-02 5.1678e-02 4.3361e-03 1.9847e-02 -6.0000e+00 3.3365e-02 -2.7781e-02 2.9048e-03 1.0072e-02 -6.0000e+00 1.9757e-02 6.0125e-03 1.5301e-03 3.0651e-03 -6.0000e+00 8.4414e-03 5.1644e-03 -4.5126e-04 8.2738e-05 3.2501e-05 -6.0000e+00 5.9477e-04 -8.9444e-03 0.0000e+00 12 9 1 12 1 1 99.38 22.08 0.04 -0.00894 -0.01234 10 163 1 8 0 82.600 20.00 22.08 14.40 26.11 26.21 1.9 831.21 -961 -4830 -5141 -4247 -7741 -6076 -7116 -2352 -4050 -8236 -10280 -1913 -4306 -1588 -1736 1054 793 3249 408 2100 215 1697 -52 -580 -69 -1858 -2746 -2699 -3842 -1314 148 1474 460 -2428 -5740 -1988 -2920 -1110 179 -1204 -275 139 -417 333 855 -424 699 -299 -1671 1745 1382 1834 1169 1924 1012 1063 368 433 539 877 1689 1746 2126 1680 -663 -323 -1316 -191 1117 1547 381 808 319 440 -689 -1259 -2321 -2245 -1549 -2137 -1090 -1664 -1995 -997 -330 -17 448 987 892 777 473 -454 -1146 -910 -98 -181 687 717 -6 -208 -667 -1421 -446 -50 -1169 -487 -807 -433 480 557 838 133 421 -308 -57 -51 -126 615 788 266 636 423 823 425 419 -550 241 480 -149 -232 -412 -775 -595 68 108 92 612 435 98 -172 -97 -1148 -55 -312 -330 -251 -431 -339 -439 -156 -297 -650 -835 -159 -428 -179 -226 147 117 495 66 346 36 284 -9 -111 -14 -385 -567 -525 -732 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