File name: Pandora133s1_Heidelberg_20240729_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T131644.8Z 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_20240729_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: 20240729 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 20240729T044959.8Z 8976.201387 170 1 47.23 2 82.49 70.04 32.43 145.73 0.00 1 0.00 1 0 25 5.993e-01 1.621e-02 3.807e-01 8.253e-03 9.158974e-01 4.923420e-03 1.083592e-02 -6.000000e+00 3.596833e-01 233.02 -2.00 3.74 -2.00 322.28 0.00e+00 4.837014e-03 3.170044e-03 5.774625e-03 -6.000000e+00 1.709187e-02 283.84 -2.00 20.00 -2.00 321.83 0.00e+00 7.089 0.007 302.00 328.00 3 1.6359e+00 2.1067e-02 9.2609e-02 -6.0000e+00 9.1093e-01 5.0095e-01 3.2900e-02 6.3432e-02 -6.0000e+00 9.8909e-01 -7.2536e-01 3.4830e-02 3.6124e-02 -6.0000e+00 5.8394e-01 2.8544e-01 1.5356e-02 1.2793e-02 -6.0000e+00 2.4555e-01 4.1317e-05 -1.4810e-04 2.3421e-04 2.5433e-04 -6.0000e+00 1.7308e-02 1.0403e-02 0.0000e+00 12 9 8 11 8 0 26.44 22.78 0.45 0.01040 0.00929 85 23 4 8 0 555.570 20.00 22.78 20.51 26.51 26.83 1.7 873.46 -274800 -141903 900000 900000 -228865 -203565 900000 -87977 -226300 900000 -93426 900000 -107026 -79306 -131084 900000 900000 900000 -34771 87383 -88345 -147345 24650 -102963 -89313 -76606 -102234 51731 -109050 -90682 -63735 76479 -12463 700 -4110 157774 -103500 25681 -5607 11817 -7794 38467 -988 30150 -8206 41795 -66974 5788 -9164 7940 -5961 39141 20045 11783 38093 17928 19141 47759 25220 15498 9553 32819 32185 17736 7227 22346 5424 13431 5356 14776 10640 12566 5663 6500 -7937 -2083 -11072 -10335 -1554 2717 -3225 12010 -2233 1828 1792 2107 487 5128 -321 2441 1173 -4410 -6308 2100 -2282 -1444 1257 480 -1732 -137 -681 -3368 -2360 -2428 -2400 -3020 75 -50 -64 329 467 -1357 -409 -1412 -591 -743 -46 976 99 735 1257 2322 1973 -1060 1332 108 841 650 64 -40 -769 -149 -303 39 276 -7 883 485 422 -689 -297 -1309 -3412 -1140 900000 900000 -1839 -1636 900000 -707 -2149 900000 -751 900000 -860 -637 -1628 900000 900000 900000 -279 702 -1097 -3336 198 -1730 -1370 -1169 -1971 416 -2366 -2040 -1383 614 -220 11 -63 1268 -4763 433 -158 323 -282 927 -37 824 -336 1075 -4892 242 -486 402 -398 1856 1272 880 2296 1368 1446 2609 1662 1133 806 2531 2922 2066 952 2568 780 1964 896 2536 2013 2322 1055 1196 -1499 -345 -2055 -2167 -365 671 -994 3597 -829 696 729 897 217 2199 -141 981 450 -1755 -2686 940 -1274 -952 953 414 -1571 -116 -529 -2389 -1593 -1738 -1825 -2449 64 -48 -71 416 651 -2005 -597 -2017 -812 -1029 -66 1468 155 1131 1831 3205 2642 -1410 1684 135 1095 980 113 -81 -1709 -325 -711 98 737 -20 2432 1341 1115 -1709 -745 -3157 SS 20240729T053508.6Z 8976.232739 176 1 50.28 2 75.44 78.24 29.28 164.92 0.00 1 0.00 1 0 17 1.835e-01 6.943e-03 1.761e-02 6.589e-04 5.502319e-01 3.507991e-04 6.750091e-03 -6.000000e+00 1.075801e-01 233.02 -2.00 3.74 -2.00 320.42 0.00e+00 1.637534e-03 1.300433e-04 1.743479e-03 -6.000000e+00 4.671292e-03 283.84 -2.00 20.00 -2.00 319.77 0.00e+00 3.895 0.001 302.00 328.00 3 8.9516e-01 1.0658e-03 5.0160e-02 -6.0000e+00 2.7059e-01 -4.1631e-03 1.3427e-03 3.2624e-02 -6.0000e+00 2.9235e-01 -1.8119e-02 1.2334e-03 1.6626e-02 -6.0000e+00 1.7345e-01 -7.0566e-04 6.1932e-04 4.8937e-03 -6.0000e+00 7.3475e-02 2.5315e-03 -4.7395e-06 1.9036e-05 6.2804e-05 -6.0000e+00 5.0285e-03 9.4271e-03 0.0000e+00 11 8 0 10 0 0 28.87 22.78 0.16 0.00943 0.00939 919 244 2 8 0 51.560 20.01 22.78 24.70 26.62 26.83 1.6 902.13 -55688 -67462 -52186 -67515 -71493 -75556 -58082 -61766 -51103 -50521 -48019 -42196 -26261 -24512 -16478 -13570 -10870 -9357 -6602 -6575 -7336 -9972 -7791 -10473 -7558 -9874 -9863 -11882 -10830 -7126 -3824 -3095 -1820 -7719 -6808 -7333 -6042 -2208 7 51 294 442 226 428 1181 266 -122 45 -734 1111 1877 1899 2257 1636 1828 1810 899 789 443 969 1788 2642 3417 2501 345 437 -921 273 1594 1308 1179 986 623 204 -1376 -1683 -2837 -2018 -1508 -1562 -1182 -1583 -2075 -660 -252 383 600 1330 1111 779 327 -644 -962 -454 -402 -13 1130 708 -100 -280 -1111 -1521 -653 -546 -1362 -848 -739 -218 508 819 656 236 162 -372 -301 -81 -34 411 481 -34 311 673 615 469 204 -758 406 411 -97 -120 -542 -521 -479 -36 -13 -66 720 426 46 96 -214 -681 -526 -798 -540 -750 -785 -917 -668 -845 -703 -727 -719 -716 -477 -545 -410 -373 -321 -297 -218 -227 -257 -370 -308 -462 -345 -482 -474 -557 -514 -372 -226 -191 -123 -547 -460 -537 -508 -218 1 7 43 69 36 70 194 45 -21 8 -137 222 416 461 593 464 539 553 280 242 134 296 584 959 1381 997 137 183 -394 123 743 688 660 558 340 104 -641 -784 -1302 -981 -777 -938 -807 -1200 -1679 -562 -212 338 549 1221 996 710 278 -521 -772 -391 -364 -13 1320 914 -131 -351 -1288 -1616 -678 -607 -1625 -1057 -982 -288 732 1293 1099 398 263 -572 -437 -116 -50 648 800 -57 510 1067 942 685 309 -1117 599 618 -163 -219 -990 -993 -959 -76 -28 -143 1585 946 100 211 -447 -1377 SS 20240729T060408.6Z 8976.252878 180 1 51.29 2 70.79 83.53 28.52 178.54 0.00 1 0.00 1 0 17 5.582e-02 6.898e-03 3.710e-03 3.257e-04 4.297938e-01 1.693793e-04 5.300676e-03 -6.000000e+00 3.272571e-02 233.01 -2.00 3.74 -2.00 319.37 0.00e+00 1.053891e-03 4.424502e-05 8.183898e-04 -6.000000e+00 1.420754e-03 283.84 -2.00 20.00 -2.00 318.65 0.00e+00 3.003 0.001 302.00 328.00 3 6.4096e-01 4.7932e-04 3.8543e-02 -6.0000e+00 8.2314e-02 -6.2891e-03 5.5879e-04 2.4471e-02 -6.0000e+00 8.8930e-02 -7.9719e-03 4.2683e-04 1.2069e-02 -6.0000e+00 5.2761e-02 -3.0045e-03 2.2311e-04 3.4273e-03 -6.0000e+00 2.2353e-02 8.6589e-03 -7.9624e-05 9.5391e-06 3.7019e-05 -6.0000e+00 1.5294e-03 8.5481e-03 0.0000e+00 11 8 0 10 0 0 51.79 22.86 0.16 0.00855 0.00795 1801 479 2 8 0 26.310 20.01 22.86 26.83 26.62 26.94 1.5 913.98 -17143 -10968 -16421 -21731 -24780 -22838 -20182 -15257 -14309 -16010 -16325 -11710 -10125 -4368 -2755 -2570 -2664 -1389 -1444 -631 -2785 -1992 -2199 -1335 -2111 -2068 -4005 -5301 -4577 -2122 -1328 163 -634 -4599 -5479 -4456 -3261 -646 161 9 -60 420 55 457 483 275 -92 -231 -556 968 1099 1367 1605 1219 1204 1437 551 275 89 527 1350 2213 2864 2053 32 139 -1143 34 1195 1006 907 801 588 334 -702 -1361 -2335 -1821 -1283 -1457 -1064 -1809 -1993 -947 -405 144 460 1125 1027 677 415 -545 -709 -368 -398 7 951 623 -64 -246 -1053 -1457 -516 -571 -1308 -809 -787 -292 551 798 726 305 244 -342 -165 -2 -44 356 515 -79 326 591 644 450 402 -583 531 397 -11 -70 -459 -475 -373 33 61 -77 675 262 12 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