File name: Pandora133s1_Heidelberg_20240920_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T133324.6Z 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_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240920_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: 20240920 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 20240920T055434.2Z 9029.246229 197 1 48.35 2 83.50 96.27 69.55 264.29 0.00 1 0.00 1 0 25 5.452e-01 4.094e-02 3.823e-01 2.172e-02 8.098133e-01 1.247163e-02 1.035329e-02 -6.000000e+00 3.178938e-01 228.04 -2.00 3.74 -2.00 321.96 0.00e+00 1.172120e-02 6.319685e-03 6.034632e-03 -6.000000e+00 1.459341e-02 280.43 -2.00 20.00 -2.00 321.48 0.00e+00 8.004 0.011 302.00 328.00 3 2.3446e+00 4.5297e-02 9.3425e-02 -6.0000e+00 7.9236e-01 1.2641e+00 5.4320e-02 4.9026e-02 -6.0000e+00 8.6231e-01 -1.5837e+00 4.0115e-02 2.7319e-02 -6.0000e+00 5.1005e-01 6.4036e-01 2.0313e-02 1.2198e-02 -6.0000e+00 2.1832e-01 8.0806e-06 -3.4745e-04 6.2947e-04 2.6861e-04 -6.0000e+00 1.5380e-02 4.2186e-03 0.0000e+00 12 8 8 10 0 0 -31.68 22.95 0.97 0.00422 0.00161 20 5 4 8 0 2416.590 19.99 22.95 22.34 26.73 26.94 1.6 885.13 -14548 900000 51001 274735 -74656 900000 52153 85262 -68929 7516 50791 900000 900000 154947 -47335 78397 59019 900000 102072 56826 -16728 -79769 -64039 70511 140168 -6673 -38594 900000 71165 160416 900000 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3389 7075 4289 3229 12 258 -3863 2990 -5445 2597 -8535 8197 919 4463 -323 1115 731 2332 1309 -4160 -6541 1354 -4334 -809 3819 -4934 502 4579 57 -1634 1891 -4871 -513 -7550 -9082 -4903 3298 -2531 -353 -2823 -3611 -7869 3520 -6074 469 -2473 3725 -4193 665 3870 12225 8636 2839 1015 3263 -1636 1805 5101 2183 4036 -311 -1854 -85 -1727 -1667 38 8158 -4397 5465 -4899 -3391 -4559 SS 20240920T060102.1Z 9029.250719 200 1 47.25 2 82.46 97.51 70.54 265.53 0.00 1 0.00 1 0 17 4.454e-01 2.232e-02 3.758e-01 1.051e-02 7.880481e-01 5.999049e-03 9.708338e-03 -6.000000e+00 2.625013e-01 228.04 -2.00 3.74 -2.00 321.99 0.00e+00 1.034176e-02 3.458147e-03 4.646218e-03 -6.000000e+00 1.184276e-02 280.43 -2.00 20.00 -2.00 321.54 0.00e+00 7.067 0.007 302.00 328.00 3 2.2561e+00 2.2876e-02 8.4351e-02 -6.0000e+00 6.5372e-01 5.7267e-01 3.1926e-02 4.8502e-02 -6.0000e+00 7.1116e-01 -7.8496e-01 3.2074e-02 2.8695e-02 -6.0000e+00 4.1928e-01 3.1485e-01 1.4840e-02 1.3054e-02 -6.0000e+00 1.7680e-01 2.5380e-05 -5.7156e-04 3.0555e-04 2.3005e-04 -6.0000e+00 1.2476e-02 4.4073e-03 0.0000e+00 12 8 8 10 0 0 -16.74 22.95 0.67 0.00441 0.00011 46 12 4 8 0 1027.080 20.00 22.95 22.64 26.73 26.94 1.6 886.42 -188314 -26981 -72593 -174373 -155549 900000 900000 -121536 -41129 -40336 -18830 900000 4156 -97860 -71997 -87634 900000 -42203 119195 -64781 11797 -142873 -70535 41719 900000 -77690 20980 11944 44881 7022 42303 -2388 75386 -17297 47526 12174 -57756 -11288 161965 15535 54332 -8598 31588 10285 79164 19571 13982 -12166 41169 5272 19000 31338 18421 -1080 59539 6902 42865 13424 22202 -1913 31457 6138 27344 10986 5617 7408 9733 15950 1971 13632 11393 1587 11110 -1339 7707 -611 -2458 -2500 -811 2454 -3775 5783 870 -4544 -1128 1073 -2525 756 712 -4944 29577 -2365 -3418 -1504 2627 -2336 3027 218 299 -2497 106 -3318 -803 -4331 -5609 -6198 1829 -2033 1305 -1799 639 -2126 -786 -1928 -472 -520 394 -517 994 1024 3058 1922 3242 774 1585 -303 287 942 -167 277 345 -413 46 -41 -182 -200 1593 282 -84 -650 -493 -1822 -4112 -276 -743 -3213 -2123 900000 900000 -1333 -421 -413 -193 900000 43 -2075 -1474 -2435 900000 -895 1220 -1800 147 -8148 -2011 427 900000 -2499 245 148 459 118 619 -65 1047 -594 799 303 -3252 -470 1658 670 1708 -534 1363 557 2369 1016 797 -952 2017 409 1445 2314 1684 -128 4266 792 3416 1384 2029 -225 2875 826 3439 1791 973 1251 1658 2752 448 3100 2799 429 2583 -321 1505 -119 -491 -556 -214 748 -1427 2233 377 -2213 -567 556 -1402 410 377 -2603 10316 -1096 -1642 -794 1567 -1732 2497 208 295 -2419 91 -2639 -599 -3543 -4954 -5824 1717 -2193 1547 -2337 886 -3128 -1127 -2692 -669 -738 578 -813 1608 1649 4639 2836 4568 1075 2120 -403 392 1447 -299 516 703 -905 107 -103 -483 -545 4332 779 -223 -1633 -1156 -4133 SS 20240920T061404.3Z 9029.259772 203 1 47.55 2 80.37 100.04 72.55 268.00 0.00 1 0.00 1 0 17 4.062e-01 9.633e-03 2.275e-01 3.427e-03 6.716793e-01 1.876051e-03 8.250582e-03 -6.000000e+00 2.339855e-01 228.03 -2.00 3.74 -2.00 321.49 0.00e+00 3.461857e-03 9.665740e-04 3.863943e-03 -6.000000e+00 1.019143e-02 280.43 -2.00 20.00 -2.00 320.97 0.00e+00 5.698 0.004 302.00 328.00 3 1.9564e+00 6.6310e-03 6.9903e-02 -6.0000e+00 5.8212e-01 3.3803e-02 9.4641e-03 4.4930e-02 -6.0000e+00 6.3153e-01 -1.2017e-01 1.0013e-02 2.4645e-02 -6.0000e+00 3.7548e-01 4.5627e-02 4.6886e-03 7.8380e-03 -6.0000e+00 1.6039e-01 1.5315e-04 -3.3577e-04 1.0034e-04 1.2647e-04 -6.0000e+00 1.1116e-02 4.1950e-03 0.0000e+00 12 8 8 10 0 0 -14.94 22.93 0.35 0.00420 0.00167 147 39 4 8 0 323.370 20.00 22.93 23.20 26.73 26.94 1.6 891.23 -114978 -123123 -72591 -167384 -195001 -163023 -94618 -95739 -53357 -106867 -112216 -7035 -82823 -106807 -59756 -59265 -20151 -36958 -24884 -40468 -24289 -53846 -75923 -1748 -65569 -13879 -50956 -9135 -8532 14452 -18987 -12673 -28288 -6498 -37707 17723 -33144 406 -10343 9063 -5165 -4909 439 247 4687 13594 -8465 2960 -5391 5278 8335 8397 2153 7294 1858 7436 508 4712 -2027 4836 807 6981 1163 6812 -470 5258 -296 4454 742 4709 413 5070 590 1998 -3128 -78 -4271 482 -3150 1 -2329 735 -3303 -345 -1251 1049 -997 2629 1221 642 3549 331 -2718 -352 -869 341 265 1136 -458 86 -1872 -1633 -1694 -802 -2856 -1617 -1108 14 392 935 634 492 47 -473 -682 512 -436 591 251 540 369 1216 707 669 -342 -536 42 779 169 166 -521 -276 -565 69 -203 -18 678 235 65 139 -346 -513 -454 -658 -243 -1220 -1777 -1253 -411 -480 -196 -714 -862 -24 -775 -1642 -719 -832 -215 -519 -333 -663 -341 -1044 -2004 -24 -1819 -241 -1277 -147 -143 227 -508 -377 -1115 -206 -1575 456 -1650 18 -615 518 -339 -343 30 19 359 981 -717 259 -498 534 843 941 283 984 278 1093 81 707 -318 721 136 1255 254 1535 -114 1185 -72 1119 223 1538 150 1777 207 640 -948 -21 -1192 140 -1123 1 -1131 387 -1941 -210 -828 716 -721 1858 856 425 2129 196 -1677 -233 -670 303 251 1186 -498 88 -1967 -1547 -1560 -781 -3026 -1785 -1199 17 509 1355 995 788 74 -712 -980 723 -647 919 411 887 589 1857 1049 952 -475 -789 62 1183 292 319 -1088 -607 -1319 159 -495 -45 1721 605 162 325 -835 -1189 SS 20240920T062444.8Z 9029.267185 208 1 49.05 2 78.66 102.13 74.20 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