File name: Pandora133s1_Heidelberg_20240906_L2Fit_fwvt1c4d20240611p1-8.txt File generation date: 20250704T132259.2Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c4p1-8 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_20240906_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: 20240906 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: 1646 1795 Nominal wavelengths inside fitting window [nm]: 492.1173 492.2384 492.3595 492.4806 492.6017 492.7227 492.8437 492.9648 493.0858 493.2067 493.3277 493.4487 493.5696 493.6905 493.8114 493.9323 494.0532 494.1740 494.2948 494.4157 494.5365 494.6572 494.7780 494.8988 495.0195 495.1402 495.2609 495.3816 495.5023 495.6229 495.7435 495.8641 495.9847 496.1053 496.2259 496.3464 496.4670 496.5875 496.7080 496.8285 496.9489 497.0694 497.1898 497.3102 497.4306 497.5510 497.6713 497.7917 497.9120 498.0323 498.1526 498.2729 498.3931 498.5134 498.6336 498.7538 498.8740 498.9942 499.1143 499.2345 499.3546 499.4747 499.5948 499.7149 499.8349 499.9550 500.0750 500.1950 500.3150 500.4350 500.5549 500.6748 500.7948 500.9147 501.0346 501.1544 501.2743 501.3941 501.5139 501.6337 501.7535 501.8733 501.9930 502.1128 502.2325 502.3522 502.4719 502.5915 502.7112 502.8308 502.9504 503.0700 503.1896 503.3092 503.4287 503.5482 503.6677 503.7872 503.9067 504.0262 504.1456 504.2650 504.3844 504.5038 504.6232 504.7426 504.8619 504.9812 505.1005 505.2198 505.3391 505.4584 505.5776 505.6968 505.8160 505.9352 506.0544 506.1735 506.2927 506.4118 506.5309 506.6500 506.7690 506.8881 507.0071 507.1261 507.2451 507.3641 507.4831 507.6020 507.7209 507.8399 507.9588 508.0776 508.1965 508.3153 508.4342 508.5530 508.6718 508.7905 508.9093 509.0280 509.1468 509.2655 509.3842 509.5028 509.6215 509.7401 509.8587 509.9773 --------------------------------------------------------------------------------------- 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: Water vapor slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor 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: Water vapor effective temperature [K] Column 28: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for water vapor [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Nitrogen dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen 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: Nitrogen dioxide effective temperature [K] Column 39: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for nitrogen dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 45: 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 46: 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 47: 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 48: 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 49: Ozone effective temperature [K] Column 50: 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 51: 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 52: 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 53: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 54: 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 55: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 56: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 57: Lower limit used for wavelength scaling [nm] Column 58: Upper limit used for wavelength scaling [nm] Column 59: Order of smoothing polynomial Column 60: Smoothing polynomial coefficient, order 0 Column 61: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 62: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 63: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 64: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 65: Smoothing polynomial coefficient, order 1 Column 66: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 67: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 68: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 69: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 70: Mean value of measured data inside fitting window [same units as measurements] Column 71: Wavelength change polynomial coefficient, order 0 Column 72: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 76: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 77: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 78: 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 79: 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 80: 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 81: 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 82: 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 83: 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 84: Atmospheric variability [%], 999=no atmospheric variability was determined Column 85: Wavelength effective temperature [°C], 999=no effective temperature given Column 86: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 87: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 88: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 89: Number of bright count cycles Column 90: Number of dark count cycles Column 91: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 92: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 93: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 94: Integration time [ms] Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Temperature at electronics board 1 [°C], 999=no temperature signal Column 99: Temperature at electronics board 2 [°C], 999=no temperature signal Column 100: Humidity in head sensor [%], -9=no humidity signal Column 101: Pressure in head sensor [hPa], -9=no pressure signal Columns 102-251: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 252-401: 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 --------------------------------------------------------------------------------------- SQ 20240906T082211.9Z 9015.348749 88 1 2.99 2 57.55 123.07 89.65 105.13 0.00 1 0.00 1 0 15 2.925e-03 2.927e-03 1.969e-03 1.965e-03 3.838694e+03 1.285700e+02 2.778274e+02 -6.000000e+00 1.721398e+02 281.93 -2.00 20.00 -2.00 505.27 0.00e+00 5.174806e-04 5.515639e-05 3.344575e-05 -6.000000e+00 8.387459e-05 281.93 -2.00 20.00 -2.00 500.50 0.00e+00 -9.258978e-03 3.997761e-02 2.705128e-02 -6.000000e+00 5.971020e-02 229.74 -2.00 3.74 -2.00 502.08 0.00e+00 1.857 0.000 489.00 513.00 1 6.8400e+00 3.0734e-03 3.5697e-03 -6.0000e+00 4.5979e-03 1.4133e-02 7.7428e-04 6.7845e-04 -6.0000e+00 1.1641e-03 1.5981e-03 3.4224e-04 2.3381e-04 2.9605e-05 -6.0000e+00 3.6167e-04 4.5655e-03 -5.9662e-05 12 1 1 12 1 1 999.00 22.91 0.75 0.00457 0.00694 2 13 1 2 0 994.990 20.01 22.91 24.50 26.73 26.94 1.6 898.50 -18 -143 -46 -112 43 388 236 414 367 164 304 137 -95 -100 366 -853 -49 463 126 -525 40 266 -82 539 161 30 292 -199 -147 -345 -130 -85 -56 162 -173 -235 -6 3 -554 -326 -20 -263 33 206 388 67 186 203 287 -334 58 -330 -460 -577 151 134 149 -209 20 608 327 217 199 6 345 -65 105 -1161 163 -368 -392 -371 -165 -251 28 -246 -12 -185 -139 -291 -347 -392 -148 64 217 -137 28 -99 135 -256 286 460 548 268 86 285 -240 -655 -105 -196 -289 -49 -84 -6 -89 -429 -229 -414 -73 409 124 -109 359 -184 61 -182 615 238 58 226 88 430 121 301 47 180 -317 -88 434 146 -128 -332 80 -527 -42 517 -42 103 117 48 198 69 372 -61 111 94 -193 73 -44 -430 -18 -141 -47 -112 44 403 248 436 384 170 310 138 -94 -99 375 -859 -50 477 132 -560 42 283 -84 574 165 32 307 -206 -149 -343 -128 -85 -57 169 -183 -240 -7 3 -577 -337 -21 -275 35 209 395 68 195 209 289 -330 58 -328 -458 -560 149 135 152 -215 20 624 337 224 206 6 350 -65 104 -1147 157 -354 -376 -359 -160 -246 27 -239 -11 -182 -136 -285 -342 -374 -142 62 211 -135 28 -98 133 -254 286 462 552 269 85 275 -228 -636 -100 -186 -276 -48 -81 -6 -89 -430 -228 -410 -72 405 124 -107 353 -184 60 -182 613 237 57 228 88 425 119 298 47 178 -316 -87 426 143 -124 -318 76 -500 -40 497 -41 103 113 47 194 68 367 -61 109 91 -191 72 -42 -419 SQ 20240906T082711.9Z 9015.352221 92 1 8.85 2 56.87 124.31 88.90 106.07 0.00 1 0.00 1 0 15 1.733e-02 1.719e-02 1.807e-02 1.798e-02 3.112729e+03 1.185233e+03 1.712652e+02 -6.000000e+00 1.019931e+03 281.93 -2.00 20.00 -2.00 505.24 0.00e+00 1.061954e-03 5.052274e-04 5.746067e-05 -6.000000e+00 4.969730e-04 281.93 -2.00 20.00 -2.00 500.28 0.00e+00 1.408648e-01 3.706688e-01 3.387128e-02 -6.000000e+00 3.539120e-01 229.74 -2.00 3.74 -2.00 501.90 0.00e+00 1.824 0.000 489.00 513.00 1 6.9463e+00 2.8526e-02 3.9833e-03 -6.0000e+00 2.7251e-02 1.6666e-02 7.1912e-03 6.8694e-04 -6.0000e+00 6.9025e-03 1.4181e-03 -4.9977e-04 2.1474e-03 2.4453e-05 -6.0000e+00 2.1433e-03 1.1861e-04 -5.8757e-05 12 8 8 10 0 0 -0.98 22.92 0.40 0.00012 -0.00335 2086 1044 3 2 0 2.400 20.01 22.92 24.81 26.73 26.94 1.5 899.97 -2272 -107 17 70 -1109 392 1420 2388 -1111 1843 -693 -231 -1742 1329 -2701 389 -1 -138 289 -19 -282 -133 476 796 180 1533 -1738 -1293 -152 376 760 3368 -3700 2611 -2102 2271 -1974 2515 -3394 895 -2196 1466 2601 2688 174 1780 -1068 292 -2719 755 -846 2181 -2675 -1921 1102 -322 991 442 541 8 -1169 1042 -2694 1572 -421 2943 1118 -269 3328 1644 -2770 -88 323 -659 1462 -1409 471 222 -2407 -83 1643 -2974 -3451 1128 -1040 -911 -435 -470 528 -668 1130 910 444 1526 1001 -1529 -1667 -282 -869 -41 2116 -506 -1357 -820 4008 -552 1676 1279 -1335 -510 -896 -649 2849 -510 2668 -602 -2604 -84 1800 -1970 1318 -2022 1666 956 3009 -2099 2893 -2240 1513 -1343 -650 -558 4558 -3541 2461 783 -855 -1998 4098 -1701 -886 -2298 1541 -1902 -192 -9 937 -439 1174 -684 -2261 -106 17 72 -1187 421 1528 2553 -1209 1948 -741 -242 -1830 1343 -2838 399 -1 -146 309 -20 -307 -144 517 862 197 1643 -1904 -1385 -157 380 759 3309 -3986 2704 -2288 2402 -2139 2612 -3664 933 -2340 1517 2685 2795 187 1871 -1145 304 -2855 747 -831 2073 -2634 -1903 1084 -328 1013 457 560 9 -1235 1078 -2857 1609 -429 2899 1105 -266 3140 1565 -2750 -85 315 -645 1417 -1376 451 211 -2302 -78 1532 -2889 -3397 1070 -1016 -893 -425 -460 513 -661 1108 903 439 1504 978 -1485 -1605 -262 -798 -37 1884 -472 -1298 -798 3761 -542 1597 1216 -1302 -497 -888 -649 2779 -513 2612 -611 -2701 -85 1761 -1974 1261 -1985 1572 910 2810 -2064 2703 -2198 1425 -1292 -614 -520 4041 -3354 2209 725 -818 -1962 3830 -1680 -873 -2307 1493 -1905 -188 -9 879 -410 1084 -637 SQ 20240906T082721.4Z 9015.352331 92 2 9.14 2 56.85 124.35 88.87 106.10 0.00 1 0.00 1 0 8 5.948e-02 5.827e-02 6.087e-02 6.039e-02 -1.209707e+03 3.624156e+03 2.256630e+02 -6.000000e+00 3.500128e+03 281.93 -2.00 20.00 -2.00 505.28 0.00e+00 2.414887e-03 1.697351e-03 1.201995e-04 -6.000000e+00 1.705564e-03 281.93 -2.00 20.00 -2.00 500.39 0.00e+00 2.171316e+00 1.232984e+00 2.738597e-02 -6.000000e+00 1.214802e+00 229.74 -2.00 3.74 -2.00 502.00 0.00e+00 1.823 0.000 489.00 513.00 1 8.1319e+00 9.5045e-02 4.3321e-03 -6.0000e+00 9.3535e-02 -3.1417e-02 2.3879e-02 3.2923e-04 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