File name: Pandora133s1_Heidelberg_20240730_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T131650.6Z 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_20240730_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: 20240730 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 20240730T045104.3Z 8977.202133 171 1 47.20 2 82.51 70.40 35.06 123.21 0.00 1 0.00 1 0 17 5.671e-01 1.627e-02 3.728e-01 8.103e-03 8.842316e-01 4.833731e-03 1.035355e-02 -6.000000e+00 3.390581e-01 232.97 -2.00 3.74 -2.00 322.26 0.00e+00 -6.395808e-04 3.065356e-03 6.823237e-03 -6.000000e+00 1.549305e-02 283.85 -2.00 20.00 -2.00 321.80 0.00e+00 7.101 0.007 302.00 328.00 3 1.6873e+00 2.0500e-02 9.5261e-02 -6.0000e+00 8.5426e-01 4.4076e-01 3.1326e-02 7.2236e-02 -6.0000e+00 9.2462e-01 -7.4477e-01 3.2277e-02 3.6716e-02 -6.0000e+00 5.4563e-01 3.0800e-01 1.4278e-02 1.0077e-02 -6.0000e+00 2.3019e-01 4.2613e-05 3.5638e-05 2.3540e-04 1.9249e-04 -6.0000e+00 1.5929e-02 4.2242e-03 0.0000e+00 12 8 8 10 0 0 40.53 23.70 0.42 0.00422 0.00449 87 23 4 8 0 542.490 20.00 23.70 26.83 27.26 27.56 1.5 911.70 -138196 -88609 -19776 38459 900000 -195046 900000 -264365 -93434 -260358 900000 -116085 900000 -109743 900000 11012 900000 -90047 53184 215883 53001 -117533 900000 -121170 45765 -96764 20436 -87013 900000 -97675 -103785 -40252 25048 -53997 62385 -17606 -83016 -12376 69421 10146 26490 -21568 28710 48227 31989 61224 -21502 5811 12272 -10885 17265 13659 35620 -7752 45607 18110 29102 27675 26674 8740 17930 23829 17059 14344 5576 15422 2283 10723 12560 15408 16644 9935 5116 16140 -7095 -568 875 -1739 -3643 3798 -833 9620 -397 895 2073 1251 -469 3205 -805 498 393 -5298 -4512 -1931 -1740 -1517 -657 780 -664 -1896 -1264 -4118 -924 -1253 -1893 -4393 -132 -695 196 24 240 -843 -689 -511 -1126 454 21 908 109 -55 1489 2200 1205 903 1619 -177 880 1237 -563 -9 -716 57 -712 502 -140 57 731 654 367 -413 -545 -1312 -1090 -699 -156 303 900000 -1539 900000 -4740 -737 -5228 900000 -916 900000 -1102 900000 87 900000 -1291 420 1703 418 -2360 900000 -3041 361 -2290 161 -1716 900000 -2697 -3424 -921 336 -1576 541 -361 -3798 -342 1040 320 773 -1072 883 1217 959 1401 -1170 257 552 -696 953 873 2023 -740 2698 1471 2135 1987 1852 724 1457 2086 1857 1776 765 1934 344 1632 2180 2674 3032 1938 991 2801 -1382 -96 148 -339 -876 929 -251 2959 -145 347 850 545 -215 1425 -363 208 155 -2165 -1909 -904 -965 -995 -503 665 -592 -1639 -989 -2962 -620 -895 -1450 -3654 -114 -674 216 30 336 -1239 -1009 -724 -1550 618 30 1360 172 -86 2183 3072 1645 1191 2064 -224 1149 1847 -994 -18 -1576 133 -1655 1244 -371 153 2002 1794 966 -1019 -1371 -3166 SS 20240730T053632.0Z 8977.233704 177 1 50.02 2 75.39 78.67 29.53 138.99 0.00 1 0.00 1 0 17 1.626e-01 6.848e-03 1.761e-02 7.083e-04 5.316334e-01 3.766252e-04 6.558066e-03 -6.000000e+00 9.537760e-02 232.97 -2.00 3.74 -2.00 320.37 0.00e+00 1.699655e-03 1.366484e-04 1.748017e-03 -6.000000e+00 4.137703e-03 283.85 -2.00 20.00 -2.00 319.71 0.00e+00 3.883 0.001 302.00 328.00 3 1.0772e+00 1.1469e-03 4.9427e-02 -6.0000e+00 2.3988e-01 -1.2268e-02 1.4296e-03 3.1718e-02 -6.0000e+00 2.5911e-01 -1.6485e-02 1.2888e-03 1.6013e-02 -6.0000e+00 1.5374e-01 -6.6747e-04 6.5010e-04 4.6193e-03 -6.0000e+00 6.5187e-02 2.1952e-03 -3.0066e-04 2.0561e-05 6.0367e-05 -6.0000e+00 4.4547e-03 3.6804e-03 0.0000e+00 11 8 0 10 0 0 25.06 23.70 0.16 0.00368 0.00142 786 209 2 8 0 60.330 20.00 23.70 28.83 27.35 27.56 1.4 925.46 -48919 -58661 -47762 -56339 -65730 -58813 -57122 -59134 -45203 -49349 -42462 -31901 -25717 -18179 -13381 -8535 -7547 -3479 -4544 -4722 -9270 -9906 -7964 -7417 -6979 -8532 -9864 -10398 -12902 -8177 -5353 -2022 -3396 -6311 -7563 -6388 -6454 -1684 -805 1069 -198 349 -136 448 163 675 -195 246 -806 1432 1246 1931 1996 1606 1669 1922 448 644 -292 774 1276 2764 3358 2806 -26 554 -868 334 1557 1528 1257 1060 401 418 -1097 -1436 -2665 -1683 -1539 -1499 -1169 -1387 -2009 -770 -273 462 428 1320 972 832 428 -501 -1136 -471 -413 48 898 811 -132 -235 -1150 -1508 -655 -549 -1539 -878 -746 -271 447 894 683 365 174 -339 -343 54 7 374 476 44 349 605 626 435 291 -630 288 446 -118 -136 -613 -496 -449 -7 -5 -76 675 348 12 97 -141 -649 -503 -741 -554 -658 -794 -699 -749 -907 -674 -808 -686 -551 -522 -424 -360 -249 -240 -116 -148 -162 -336 -370 -316 -318 -318 -412 -477 -482 -622 -425 -316 -133 -252 -478 -556 -496 -581 -176 -102 153 -31 58 -24 78 29 121 -36 46 -159 300 291 490 550 476 515 613 147 207 -93 248 437 1042 1293 1161 -11 221 -352 141 743 823 724 620 228 221 -531 -636 -1260 -834 -806 -915 -812 -1068 -1655 -617 -234 416 400 1241 897 720 373 -414 -930 -411 -377 50 1057 979 -164 -299 -1358 -1631 -688 -618 -1866 -1110 -932 -362 649 1420 1076 578 286 -525 -502 77 11 591 795 75 580 971 972 644 414 -938 428 671 -198 -249 -1120 -944 -896 -14 -10 -166 1486 774 26 213 -296 -1322 SS 20240730T060547.9Z 8977.254027 181 1 50.99 2 70.69 84.01 26.81 151.45 0.00 1 0.00 1 0 17 4.863e-02 6.784e-03 4.035e-03 3.708e-04 4.167227e-01 1.929035e-04 5.189331e-03 -6.000000e+00 2.853154e-02 232.97 -2.00 3.74 -2.00 319.33 0.00e+00 1.041546e-03 4.952247e-05 7.775006e-04 -6.000000e+00 1.237568e-03 283.85 -2.00 20.00 -2.00 318.60 0.00e+00 2.989 0.001 302.00 328.00 3 9.1901e-01 5.4389e-04 3.7993e-02 -6.0000e+00 7.1758e-02 -1.8775e-02 6.3287e-04 2.3825e-02 -6.0000e+00 7.7509e-02 -5.3702e-03 4.7945e-04 1.1691e-02 -6.0000e+00 4.5987e-02 -3.2571e-03 2.5074e-04 3.2790e-03 -6.0000e+00 1.9502e-02 6.8149e-03 -2.9412e-04 1.0853e-05 3.6541e-05 -6.0000e+00 1.3324e-03 2.7633e-03 0.0000e+00 11 8 0 10 0 0 14.27 23.75 0.16 0.00276 0.00055 1449 385 2 8 0 32.700 20.01 23.75 30.20 27.35 27.67 1.3 932.16 -14802 -9181 -13114 -17859 -22174 -20133 -16885 -12767 -12543 -14412 -15102 -10343 -8705 -4928 -2227 -2686 -2194 -1132 -1207 36 -2669 -920 -968 -1466 -1672 -1495 -3834 -4801 -4403 -1593 -1062 609 112 -4445 -5481 -4146 -3189 -675 52 -158 -216 344 27 179 421 364 -266 -333 -841 871 871 1235 1527 1159 1019 1393 471 277 -161 732 1433 2131 2884 2142 20 225 -1040 10 1294 1019 904 791 631 262 -634 -1120 -2226 -1707 -1327 -1459 -1175 -1649 -2037 -1008 -430 153 423 1103 934 676 528 -481 -713 -243 -340 44 928 642 -25 -259 -1054 -1496 -563 -561 -1306 -785 -774 -389 485 765 724 323 255 -283 -182 -24 -44 384 523 -88 292 562 605 483 438 -544 528 495 -21 -73 -421 -458 -400 36 25 -75 620 294 -17 -27 -226 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