File name: Pandora133s1_Heidelberg_20250118_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T135327.4Z 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_20250118_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: 20250118 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 20250118T130457.4Z 9149.545109 427 1 45.96 2 72.59 201.87 121.78 323.82 0.00 1 0.00 1 0 25 1.356e-01 1.198e-02 5.399e-02 4.793e-03 4.023404e-01 2.408017e-03 5.060901e-03 -6.000000e+00 7.649253e-02 222.41 -2.00 3.74 -2.00 319.46 0.00e+00 1.579456e-03 6.101251e-04 8.840506e-04 -6.000000e+00 3.230386e-03 267.90 -2.00 20.00 -2.00 319.02 0.00e+00 3.296 0.001 302.00 328.00 3 5.1963e+00 6.6189e-03 3.8637e-02 -6.0000e+00 1.8870e-01 9.0845e-02 7.6970e-03 2.1777e-02 -6.0000e+00 2.0588e-01 -2.6954e-02 6.2333e-03 1.1619e-02 -6.0000e+00 1.2204e-01 4.4869e-03 3.3368e-03 3.9888e-03 -6.0000e+00 5.2293e-02 7.1465e-05 -3.8944e-04 1.4285e-04 4.4168e-05 -6.0000e+00 3.7016e-03 -6.0417e-03 0.0000e+00 12 8 8 10 0 0 99.97 21.62 0.08 -0.00604 -0.00897 36 10 1 8 0 1276.280 20.01 21.62 9.05 25.68 25.90 2.0 799.01 -4423 -11709 -19253 9183 -33872 -5442 20391 -43477 13979 -32425 -20315 13206 -9906 -8540 -636 9434 8230 11261 4673 -4110 131924 -9068 9068 -9074 -3683 -7160 -5543 -2291 1150 5909 4583 -9538 783 -4490 -10696 -2726 -5099 -1214 -1826 -3410 -1055 355 481 -1951 6307 -546 -3880 1451 -1756 1593 2208 3591 -91 662 2149 586 1331 7282 1875 -1081 568 1555 3069 2889 462 -293 -936 -2462 1412 1469 1134 1286 2116 353 213 -4058 -3327 -3830 -1484 -1888 -607 -449 -2344 -1041 -950 -583 591 1359 1689 1104 1571 -1424 -2197 -1940 222 -1643 2064 1656 25 -253 -1346 -2102 -733 -192 -1219 -2151 -248 -749 1214 963 1237 -161 568 -1142 -807 -585 -686 350 893 996 604 1542 1164 -324 1006 -1196 -196 268 -558 54 -431 -611 -490 82 267 -6 831 343 319 222 -656 -1182 -118 -365 -647 220 -1109 -140 454 -1948 404 -1498 -847 458 -501 -505 -41 607 572 809 373 -371 3375 -866 773 -981 -397 -827 -617 -234 112 592 518 -1372 111 -664 -1586 -395 -853 -231 -418 -900 -292 101 141 -590 1770 -165 -1203 431 -547 506 755 1305 -36 278 915 260 591 3016 803 -482 265 783 1662 1654 262 -159 -499 -1375 852 978 806 927 1466 235 131 -2369 -1821 -2164 -915 -1330 -471 -379 -2112 -974 -953 -611 630 1474 1787 1109 1470 -1284 -1916 -1763 217 -1819 2463 2138 34 -325 -1626 -2384 -810 -224 -1521 -2810 -333 -1064 1808 1531 2038 -266 908 -1741 -1164 -829 -994 528 1413 1617 971 2409 1778 -482 1435 -1666 -270 389 -880 90 -749 -1096 -904 157 534 -12 1726 725 663 446 -1292 -2256 SS 20250118T131030.1Z 9149.548960 430 1 10.67 2 72.94 203.18 122.31 325.26 0.00 1 0.00 1 0 17 1.444e-01 1.265e-02 1.201e-01 8.859e-03 4.028013e-01 4.434965e-03 5.077335e-03 -6.000000e+00 8.146412e-02 222.41 -2.00 3.74 -2.00 319.13 0.00e+00 3.365098e-03 1.033554e-03 6.809672e-04 -6.000000e+00 3.439857e-03 267.90 -2.00 20.00 -2.00 318.69 0.00e+00 3.359 0.001 302.00 328.00 3 5.0198e+00 1.2049e-02 3.9074e-02 -6.0000e+00 2.0096e-01 7.6391e-02 1.3879e-02 2.1638e-02 -6.0000e+00 2.1924e-01 -2.9509e-02 1.0826e-02 1.1791e-02 -6.0000e+00 1.2996e-01 8.5941e-03 5.8164e-03 5.0649e-03 -6.0000e+00 5.5706e-02 8.0701e-05 1.3634e-04 2.5899e-04 5.0288e-05 -6.0000e+00 3.9407e-03 -8.3882e-03 0.0000e+00 12 9 9 12 1 1 999.00 21.62 0.42 -0.00839 -0.00736 2 4 1 8 0 3555.040 19.98 21.62 9.07 25.68 25.90 2.0 798.43 -24437 5852 10479 105709 -21890 77509 -37623 -27226 -39455 -32245 -28591 40968 9155 -19302 -18381 1604 -2799 10141 -4582 10115 -6274 5371 3807 -1701 9114 -5184 -20798 8983 -2361 -5130 8560 -1702 -6245 3427 -9406 3044 9470 8510 3560 -6019 -737 -689 2219 3709 -165 -567 1836 -3256 -1499 2276 5272 3560 700 657 3657 -460 -893 5627 -1970 -2465 -882 3728 -296 3063 441 -2261 -2977 -1064 -406 1198 1687 2591 336 1329 -255 -742 -2011 113 -2022 -2487 -1219 420 -2113 -1585 -88 357 318 1902 1538 462 761 -1900 -1568 -551 -1979 -750 1764 610 -935 98 -93 -2756 -871 -573 -1944 -1117 -1210 -109 1194 1293 1915 -235 401 -1082 694 126 -882 732 337 284 985 1109 774 -460 1209 -1178 683 -753 -240 639 376 -1530 -467 436 527 -215 737 -535 164 -810 277 -418 -864 170 293 1096 -706 992 -1558 -1134 -2013 -1588 -1385 1168 425 -1413 -1562 125 -242 831 -454 903 -654 508 382 -191 957 -649 -2963 921 -266 -645 1060 -259 -1083 536 -1575 476 1565 1674 870 -1818 -225 -220 711 1192 -55 -194 611 -1136 -522 813 1978 1451 309 306 1700 -226 -445 2614 -962 -1228 -458 2038 -181 1920 274 -1369 -1776 -649 -270 867 1283 1981 254 954 -171 -458 -1201 68 -1373 -1906 -1018 373 -2003 -1563 -91 384 351 2113 1691 488 752 -1814 -1444 -526 -2072 -852 2149 803 -1260 127 -114 -3235 -997 -685 -2469 -1462 -1655 -154 1770 2021 3077 -383 631 -1640 990 178 -1290 1103 533 458 1564 1722 1180 -683 1725 -1656 947 -1106 -374 1040 638 -2680 -835 809 1014 -425 1463 -1082 326 -1570 520 -768 SS 20250118T131645.1Z 9149.553300 433 1 46.80 2 73.35 204.64 122.88 326.92 0.00 1 0.00 1 0 25 5.314e-02 8.883e-03 3.105e-02 2.736e-03 4.204268e-01 1.376430e-03 5.279446e-03 -6.000000e+00 2.998469e-02 222.41 -2.00 3.74 -2.00 319.43 0.00e+00 2.397114e-03 3.492904e-04 7.579922e-04 -6.000000e+00 1.266186e-03 267.90 -2.00 20.00 -2.00 319.00 0.00e+00 3.436 0.001 302.00 328.00 3 4.3292e+00 3.7879e-03 4.0285e-02 -6.0000e+00 7.3969e-02 6.8445e-02 4.3975e-03 2.2644e-02 -6.0000e+00 8.0699e-02 -2.6871e-02 3.5930e-03 1.2149e-02 -6.0000e+00 4.7837e-02 5.1230e-03 1.9268e-03 4.5334e-03 -6.0000e+00 2.0501e-02 1.4737e-04 -3.3900e-04 8.0375e-05 4.8732e-05 -6.0000e+00 1.4507e-03 -7.2873e-03 0.0000e+00 11 9 0 11 8 0 99.90 21.63 0.10 -0.00729 -0.00983 40 12 1 8 0 1169.810 19.99 21.63 8.93 25.68 25.90 2.0 797.23 -9321 -11408 -26557 -13044 -24709 -8879 -15473 -21136 -17340 -17648 -7786 -10252 -1470 -6291 -985 331 5696 4382 -570 -3463 -5778 -4454 955 -6452 354 -2776 -3230 -347 -1898 2655 2728 -2239 454 -5862 -9259 -1703 -5984 -1764 -815 -2580 -1327 1091 -239 -875 3622 1226 -1265 -251 -632 1886 2154 3273 758 1107 1909 -401 202 3264 -287 -552 1830 1796 1141 2629 -238 24 -1125 -1122 1165 1392 1009 2321 1366 818 -534 -2056 -2656 -2191 -1834 -1731 -1311 -690 -1977 -1186 -931 336 353 1506 883 367 640 -993 -1873 -905 -981 -838 1178 1593 596 -197 -892 -1861 -809 -221 -1319 -966 -332 -733 604 991 1100 251 343 -858 -898 -27 -635 685 605 603 471 1230 694 304 416 -962 -335 408 -30 -198 -101 -714 -849 233 -5 -201 803 475 327 -301 -87 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