File name: Pandora133s1_Heidelberg_20260424_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20260424T233803.7Z 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 v1.8.88 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20260424_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: 20260424 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 20260424T050351.8Z 9610.211016 125 1 45.63 2 83.41 77.90 109.19 348.65 0.00 1 0.00 1 0 25 8.556e-01 4.621e-02 3.147e-01 1.543e-02 1.001192e+00 9.039116e-03 1.227996e-02 -6.000000e+00 5.062241e-01 228.70 -2.00 3.74 -2.00 322.27 0.00e+00 4.047944e-03 4.327226e-03 8.819683e-03 -6.000000e+00 2.190355e-02 275.00 -2.00 20.00 -2.00 321.85 0.00e+00 7.922 0.010 302.00 328.00 3 1.5677e+00 3.2104e-02 1.0396e-01 -6.0000e+00 1.2656e+00 1.7252e+00 3.7469e-02 6.8072e-02 -6.0000e+00 1.3775e+00 -2.1809e+00 2.6844e-02 3.2693e-02 -6.0000e+00 8.1464e-01 8.4787e-01 1.4472e-02 1.0347e-02 -6.0000e+00 3.4352e-01 1.4503e-05 5.5000e-04 4.1212e-04 2.8274e-04 -6.0000e+00 2.4044e-02 5.4201e-03 0.0000e+00 12 9 9 12 9 1 17.43 21.99 0.30 0.00542 0.00955 31 10 4 8 0 1425.680 20.00 21.99 12.18 26.00 26.21 2.0 818.25 102144 10045 184946 900000 -30903 900000 -38464 -21892 20824 45759 237061 131468 900000 32748 1039 55297 900000 900000 48672 -42702 -24350 -50930 283635 -22322 189502 -59929 9102 14999 43916 33622 900000 -22234 30609 23327 2688 94755 14569 51853 79074 439249 143613 122891 136668 -38374 900000 51860 -10523 -13721 127993 105162 105248 115434 71194 34848 102903 14701 110585 507024 162869 -24844 -8609 -35571 15149 -12177 78355 22439 65883 14864 40596 55126 17354 36698 79529 31928 74993 -26370 -5330 -28626 -1841 -19786 3563 40911 25916 -3838 10498 2990 -1382 -2299 3712 -1839 51808 -5726 -12280 -5986 6255 -11817 15091 2004 1555 -9338 -3733 -5933 253 -4939 -4638 -11377 10140 -6095 1582 -1018 4889 -7152 6545 -4448 -1521 1145 -1390 301 -1021 7263 3064 6280 3278 -6730 6754 -2615 1120 -2315 4195 -794 683 -1033 48 -607 1202 -511 1581 -1957 1066 -455 -1141 -192 3358 779 2779 900000 -2039 900000 -2419 -1146 705 1152 3561 1975 900000 1600 78 2675 900000 900000 2442 -4743 -2024 -5052 4261 -1657 2847 -5830 416 585 1320 1305 900000 -1959 1722 1297 163 2377 850 2400 3232 6599 3556 3744 3536 -5026 900000 2798 -1033 -1443 3666 4096 4524 4817 4842 3470 5497 1810 5310 7617 4070 -3585 -1123 -6729 2016 -2303 6275 3061 6238 2450 5935 7752 3581 6173 8210 4640 6328 -5376 -908 -6885 -416 -6260 1053 9521 7394 -1529 3857 1217 -599 -1001 1480 -721 11583 -2186 -5260 -2779 3084 -8138 9485 1608 1290 -8154 -2822 -4072 157 -3369 -3344 -9224 7315 -5730 1605 -1224 6127 -10527 8517 -6305 -2038 1520 -1965 442 -1565 10096 4198 8022 4209 -9158 7982 -3334 1456 -3578 7101 -1587 1481 -2443 120 -1634 3356 -1468 4528 -5717 2910 -1170 -2761 -439 SS 20260424T051659.8Z 9610.220136 128 1 46.54 2 81.31 80.33 109.58 351.73 0.00 1 0.00 1 0 25 7.014e-01 1.406e-02 2.155e-01 3.867e-03 8.882043e-01 2.190897e-03 1.070291e-02 -6.000000e+00 4.076498e-01 228.70 -2.00 3.74 -2.00 322.01 0.00e+00 8.124252e-03 1.204370e-03 5.087129e-03 -6.000000e+00 1.734333e-02 275.01 -2.00 20.00 -2.00 321.59 0.00e+00 6.252 0.005 302.00 328.00 3 1.2524e+00 8.0836e-03 8.2480e-02 -6.0000e+00 1.0172e+00 3.8781e-01 1.2628e-02 5.6575e-02 -6.0000e+00 1.1046e+00 -5.7074e-01 1.4228e-02 3.5875e-02 -6.0000e+00 6.5204e-01 2.3694e-01 6.4670e-03 1.5977e-02 -6.0000e+00 2.7580e-01 1.3374e-04 -2.5315e-04 1.0560e-04 2.6801e-04 -6.0000e+00 1.9302e-02 4.9021e-03 0.0000e+00 12 8 8 10 0 0 18.33 21.99 0.13 0.00490 0.00300 168 48 4 8 0 277.000 20.00 21.99 12.59 26.00 26.21 2.0 822.18 -191944 -253414 -180405 -64936 -276267 900000 -264357 -196352 -222668 -180512 -199566 -195406 -169501 -101447 -157766 -67710 -31121 95950 -103157 -115867 -61386 -118349 -41997 -93974 -63115 -103615 -83848 14907 -62683 30871 64364 -31487 -26068 -13040 -23668 -18240 -55785 15397 9788 22914 21285 8079 19153 -14672 27355 13820 -5794 10873 14858 20933 22657 27888 18266 16310 17467 8250 14155 27478 15380 4746 3574 2121 12971 10290 14520 8641 5788 6199 7418 12486 4749 10514 5480 3864 2452 -4165 -8665 -4560 -2622 -2286 -800 3018 350 -428 828 572 16 1204 364 119 1463 -1963 -4750 -2121 -2052 -1689 1193 598 -750 -793 -1409 -2619 -1491 -1628 -2662 -2468 -509 -480 441 347 507 -491 211 -1609 -1169 10 -148 477 809 1409 1429 1564 1454 279 942 -980 449 -36 703 -107 -127 -589 -286 103 117 -72 953 28 337 -346 -733 -840 -1162 -3108 -1126 -245 -3670 900000 -3440 -1456 -2284 -1293 -1918 -2319 -2147 -892 -3041 -666 -243 362 -1881 -2416 -752 -2531 -462 -1777 -928 -2318 -1549 106 -1025 257 490 -720 -644 -281 -540 -416 -2055 352 283 672 693 315 697 -751 980 581 -308 537 757 1133 1380 1799 1410 1389 1535 807 1328 2214 1330 461 383 262 1688 1535 2120 1352 965 1126 1538 2735 1190 2480 1281 845 491 -826 -1832 -1032 -710 -733 -293 1202 154 -202 411 294 8 640 193 59 685 -928 -2369 -1171 -1326 -1276 1033 580 -761 -768 -1262 -2134 -1146 -1322 -2318 -2234 -490 -514 529 472 748 -749 323 -2420 -1687 14 -221 746 1308 2229 2181 2277 2075 388 1281 -1324 623 -55 1244 -212 -274 -1347 -689 263 311 -197 2602 77 894 -871 -1743 -1921 SS 20260424T053318.3Z 9610.231462 134 1 46.57 2 78.68 83.36 109.91 355.58 0.00 1 0.00 1 0 17 5.278e-01 9.270e-03 4.889e-02 1.230e-03 7.307740e-01 6.685038e-04 9.007672e-03 -6.000000e+00 3.046530e-01 228.71 -2.00 3.74 -2.00 321.29 0.00e+00 4.969513e-03 3.104310e-04 3.988978e-03 -6.000000e+00 1.294637e-02 275.01 -2.00 20.00 -2.00 320.83 0.00e+00 4.924 0.002 302.00 328.00 3 7.8201e-01 2.2042e-03 6.5676e-02 -6.0000e+00 7.6052e-01 1.1389e-01 3.1148e-03 4.6079e-02 -6.0000e+00 8.2546e-01 -1.5682e-01 3.4176e-03 2.8375e-02 -6.0000e+00 4.8895e-01 5.7626e-02 1.6323e-03 1.1386e-02 -6.0000e+00 2.0757e-01 8.7454e-04 -2.7609e-05 3.3873e-05 1.6675e-04 -6.0000e+00 1.4441e-02 4.0550e-03 0.0000e+00 11 8 0 10 0 0 5.75 22.01 0.13 0.00405 0.00385 526 152 2 8 0 88.530 20.00 22.01 13.30 26.00 26.21 2.0 827.21 -172685 -165644 -169100 -152977 -208315 -180808 -189712 -160697 -145931 -147494 -154992 -132075 -87097 -87263 -74007 -62825 -40151 -32774 -40388 -43635 -12937 -51666 -37070 -35388 -29805 -38021 -33514 -36645 -34115 -22429 -8754 -11011 -10369 -17676 -15870 -9060 -11893 -5652 -591 -3558 1362 2886 3794 -465 3036 3179 1571 2189 2999 4700 5129 7119 5452 5955 4619 2634 2285 3031 1476 1274 2519 4158 5573 5038 2108 2478 449 1503 3175 3056 2084 2168 1231 114 -1364 -2028 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