File name: Pandora133s1_Heidelberg_20250223_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T140434.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20250223_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: 20250223 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 20250223T072328.8Z 9185.307973 116 1 47.27 2 81.07 116.47 78.93 178.21 0.00 1 0.00 1 0 25 1.257e+00 3.828e-02 3.266e-01 5.301e-03 9.400383e-01 3.013027e-03 1.161082e-02 -6.000000e+00 7.140855e-01 224.34 -2.00 3.74 -2.00 322.19 0.00e+00 3.857761e-02 1.568946e-03 1.974638e-02 -6.000000e+00 3.020546e-02 268.69 -2.00 20.00 -2.00 321.83 0.00e+00 6.107 0.005 302.00 328.00 3 1.4876e+00 1.0412e-02 1.5132e-01 -6.0000e+00 1.7683e+00 1.5075e+00 1.2373e-02 1.6854e-01 -6.0000e+00 1.9269e+00 -2.2095e+00 1.1530e-02 2.7799e-02 -6.0000e+00 1.1415e+00 9.4661e-01 5.9025e-03 3.6069e-02 -6.0000e+00 4.8736e-01 8.9875e-05 -4.9883e-03 1.4084e-04 1.5854e-04 -6.0000e+00 3.4426e-02 -2.0625e-03 0.0000e+00 12 9 8 11 8 0 99.98 22.17 0.19 -0.00206 -0.03955 180 52 4 8 0 258.260 19.95 22.17 14.61 26.21 26.32 1.9 834.95 301262 251212 344065 314952 336863 202726 237980 213725 232114 129589 124224 156609 900000 187118 348151 246165 380796 223820 382337 250368 -87747 173917 211457 146940 285899 75205 164535 132223 141401 186380 181059 155179 172413 122077 188377 135409 86790 97876 134574 105166 136127 107312 137145 128343 191238 119958 107670 116214 124033 105075 133449 98260 105284 83139 97128 67393 61300 74841 49182 42899 58875 35737 56659 53852 51596 45728 39829 34030 33182 32778 26732 25060 21986 15043 15399 7632 -885 1468 4268 3258 7239 7241 3571 1823 -315 -226 -1188 4152 2743 1721 104 -3230 -9111 -9027 -8477 -6336 -3148 -1415 78 275 1984 -715 -2461 -4654 -5964 -6759 -4470 -4353 -3786 -2796 -1832 -1928 -1678 -2397 -2124 -1695 -1680 -329 1183 2721 3560 4287 4170 2771 3635 2348 1776 1340 1515 1876 1927 1617 550 57 -434 -307 136 242 104 -465 -1447 -3712 2491 3635 1965 1970 1741 2148 1424 1279 1200 1234 1149 1278 900000 2341 1799 2611 1968 3348 1976 2588 -19086 2791 1956 2118 1478 1657 1464 1511 1615 1819 2315 3081 3189 3586 2596 2762 2880 3008 3038 3347 3221 3444 3395 3561 3075 3883 4129 4331 4487 4887 5082 5666 5899 5629 5812 4876 4435 4621 3533 3292 4153 3648 5505 6109 6200 5766 5414 5109 5556 5832 5270 4940 4145 2842 2531 1221 -153 278 968 874 2195 2484 1357 735 -136 -102 -561 1882 1242 744 42 -1303 -3964 -4394 -4940 -4408 -2445 -1260 73 252 1631 -552 -1758 -3466 -4785 -5760 -4034 -4176 -4160 -3550 -2602 -2913 -2554 -3591 -3069 -2428 -2507 -513 1902 4303 5313 6019 5648 3669 4643 3116 2420 1993 2662 3616 4137 3762 1379 153 -1192 -862 382 680 295 -1221 -3517 -8553 SS 20250223T073744.5Z 9185.317876 121 1 49.91 2 79.02 119.36 78.92 181.29 0.00 1 0.00 1 0 17 7.273e-01 1.069e-02 6.192e-02 1.342e-03 8.269337e-01 7.347510e-04 9.640317e-03 -6.000000e+00 4.134802e-01 224.34 -2.00 3.74 -2.00 321.65 0.00e+00 6.011236e-03 3.491047e-04 1.565165e-03 -6.000000e+00 1.738737e-02 268.70 -2.00 20.00 -2.00 321.28 0.00e+00 5.065 0.003 302.00 328.00 3 7.7830e-01 2.4332e-03 6.8313e-02 -6.0000e+00 1.0241e+00 1.1515e-01 3.8162e-03 4.8771e-02 -6.0000e+00 1.1155e+00 -2.6504e-01 4.5560e-03 2.9586e-02 -6.0000e+00 6.6063e-01 1.1175e-01 2.1431e-03 1.2466e-02 -6.0000e+00 2.8219e-01 7.4562e-04 -1.0081e-03 3.6665e-05 1.5006e-04 -6.0000e+00 1.9864e-02 -8.7761e-03 0.0000e+00 12 8 8 10 0 0 92.54 22.16 0.19 -0.00878 -0.01635 558 161 2 8 0 83.450 20.05 22.16 15.13 26.11 26.32 1.9 840.55 -247637 -218799 -231688 -226577 -246316 -244701 -246885 -214882 -208820 -190110 -205083 -152049 -153544 -125835 -107824 -67799 -77575 -62223 -79188 -72995 -108984 -67813 -75093 -56499 -62498 -59859 -68272 -57484 -56794 -35789 -36333 -8872 -15605 -15432 -23503 -20185 -24753 -10481 -2486 4495 2051 5942 4172 4627 7893 6793 1695 6676 2869 9228 6846 11709 8270 10418 7866 7350 5448 5534 2048 2726 2051 7556 7681 9751 4471 4116 2654 3302 4566 5527 3974 4147 1643 1162 -1519 -2799 -5386 -3317 -2141 -885 -329 -90 -1916 -881 -246 493 588 1674 1315 971 -65 -1249 -2445 -2230 -1720 -762 585 896 178 -95 -1021 -2042 -1663 -1384 -2265 -1680 -1309 -664 161 916 1051 393 277 -539 -754 -432 -200 217 390 164 560 1082 1387 695 757 -654 -3 723 196 245 -118 -262 -560 -123 -119 -184 596 435 32 -34 -174 -1018 -2009 -1546 -1971 -1720 -2128 -2146 -2423 -1716 -1749 -1418 -1959 -1094 -1547 -1301 -1214 -621 -904 -700 -1140 -1032 -2211 -923 -1189 -806 -1006 -987 -1233 -918 -959 -600 -780 -176 -386 -390 -615 -536 -790 -351 -95 188 97 292 220 248 422 383 106 427 188 638 556 1017 824 1108 904 882 675 668 248 329 268 1073 1276 1784 887 821 560 748 1174 1604 1253 1318 510 332 -398 -681 -1342 -896 -687 -339 -147 -46 -976 -472 -140 293 362 1030 796 605 -38 -717 -1453 -1473 -1219 -633 563 975 203 -105 -1033 -1852 -1414 -1229 -2161 -1677 -1401 -778 212 1264 1599 626 439 -829 -1112 -629 -300 343 641 268 874 1604 1978 1038 1094 -930 -4 1080 341 479 -236 -562 -1280 -300 -307 -489 1593 1170 84 -82 -394 -2199 SS 20250223T074427.4Z 9185.322540 124 1 50.09 2 78.07 120.75 78.95 182.74 0.00 1 0.00 1 0 17 6.624e-01 9.383e-03 4.990e-02 1.004e-03 7.787451e-01 5.428866e-04 9.168202e-03 -6.000000e+00 3.765702e-01 224.34 -2.00 3.74 -2.00 321.44 0.00e+00 4.615402e-03 2.482082e-04 1.611703e-03 -6.000000e+00 1.583504e-02 268.70 -2.00 20.00 -2.00 321.05 0.00e+00 4.693 0.002 302.00 328.00 3 6.3908e-01 1.7588e-03 6.3697e-02 -6.0000e+00 9.3266e-01 3.4317e-02 2.6725e-03 4.5569e-02 -6.0000e+00 1.0160e+00 -1.4179e-01 3.1648e-03 2.7563e-02 -6.0000e+00 6.0165e-01 5.7783e-02 1.5073e-03 1.1065e-02 -6.0000e+00 2.5701e-01 1.2761e-03 -8.5685e-04 2.7595e-05 1.2968e-04 -6.0000e+00 1.8090e-02 -9.0337e-03 0.0000e+00 12 8 8 10 0 0 -1.51 22.16 0.16 -0.00903 -0.01547 852 246 2 8 0 54.670 20.00 22.16 15.81 26.21 26.32 1.9 846.59 -226314 -211213 -216048 -221799 -214449 -216468 -211849 -209947 -190477 -182697 -185521 -168401 -138468 -110191 -85311 -85769 -53299 -50684 -41898 -58770 53939 -62816 -54776 -56084 -44128 -53475 -47039 -55937 -37466 -39970 -23825 -25971 -9063 -17809 -20734 -22936 -18557 -9239 -1747 -701 3071 1379 5770 -1177 5234 2137 2511 1296 3092 3751 6842 5786 7258 5103 6853 3033 4333 2161 2655 -261 2153 3372 6750 6031 4407 2461 1478 971 3450 2533 3002 2439 1681 175 -1216 -2953 -4263 -3581 -1561 -1674 -543 -1115 -1429 -929 74 80 858 1593 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