File name: Pandora133s1_Heidelberg_20240903_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T132420.4Z 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_20240903_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: 20240903 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 20240903T053646.2Z 9012.233868 60 1 46.85 2 82.45 87.50 83.91 84.83 0.00 1 0.00 1 0 17 4.312e-01 2.543e-02 3.288e-01 1.117e-02 7.918128e-01 6.311395e-03 9.777488e-03 -6.000000e+00 2.518846e-01 230.10 -2.00 3.74 -2.00 321.97 0.00e+00 6.894228e-03 3.486920e-03 5.655944e-03 -6.000000e+00 1.098743e-02 282.22 -2.00 20.00 -2.00 321.48 0.00e+00 7.057 0.007 302.00 328.00 3 2.3236e+00 2.3930e-02 8.6640e-02 -6.0000e+00 6.2907e-01 7.2427e-01 3.1592e-02 5.4010e-02 -6.0000e+00 6.8163e-01 -1.0202e+00 2.8495e-02 2.8702e-02 -6.0000e+00 4.0366e-01 4.1806e-01 1.3428e-02 9.4552e-03 -6.0000e+00 1.7120e-01 2.3421e-05 -6.1441e-04 3.1918e-04 1.9647e-04 -6.0000e+00 1.1881e-02 9.2402e-03 0.0000e+00 12 8 8 10 0 0 2.33 23.21 0.42 0.00924 0.00462 40 11 4 8 0 1171.170 20.00 23.21 25.42 26.94 27.15 1.5 902.95 75755 -61174 -63011 -138787 -96953 900000 -126939 19896 -70294 -121216 -140043 57538 111532 -65553 10778 -54450 185951 86196 -25032 -57136 -42684 -104322 -21639 19155 29629 -46931 26679 9362 57525 -60584 105896 -34887 19267 13892 102481 -21930 -33752 -31832 46210 -21570 54490 -9435 83903 -4343 42682 28953 17237 -15221 34523 32486 44761 40888 21349 28284 18165 20869 25184 36587 30223 7672 21362 -5569 9187 11383 7249 18161 7210 4975 3877 18222 11751 16218 3603 4166 9153 382 -14558 -10751 114 -7635 706 10863 -1310 1329 3383 -256 -125 700 -1506 -733 45569 -9652 -7043 -3483 -1210 -3493 1776 348 -131 -1977 -3652 -4505 -3131 -2345 -4589 -6071 -282 -996 -154 315 521 -827 374 -1080 -1428 -761 392 -494 1332 -232 2057 4044 2549 41 1480 631 1925 380 -280 540 493 248 -479 686 -730 -160 1317 -290 295 -74 -1075 -1632 825 -999 -1012 -4056 -1665 900000 -2942 217 -1014 -2897 -4165 627 1215 -1854 177 -1887 2025 939 -768 -2360 -1468 -6293 -613 375 528 -1772 474 187 748 -2921 1217 -1829 655 480 1415 -1043 -2000 -2177 1765 -1782 2301 -764 2843 -341 2165 1711 1159 -1461 2194 2317 3159 3276 2221 2918 2133 2430 2783 3504 2962 933 2437 -931 1520 2010 1334 3004 1354 1030 929 4239 3031 4034 959 1001 1885 79 -3503 -2767 31 -2655 263 4094 -595 627 1670 -136 -68 383 -832 -376 14358 -4909 -3587 -1920 -767 -2639 1472 329 -128 -1877 -3255 -3628 -2434 -1923 -4047 -5751 -273 -1060 -185 422 753 -1248 558 -1575 -2011 -1066 568 -766 2119 -373 3148 5839 3615 57 2007 841 2621 589 -496 1052 1046 556 -1152 1733 -1957 -437 3603 -808 793 -189 -2627 -3823 SS 20240903T062030.9Z 9012.264247 66 1 49.86 2 75.35 95.86 77.11 93.01 0.00 1 0.00 1 0 17 1.132e-01 6.746e-03 1.525e-02 7.756e-04 4.833275e-01 4.053146e-04 5.972794e-03 -6.000000e+00 6.565498e-02 230.09 -2.00 3.74 -2.00 320.12 0.00e+00 1.382981e-03 1.353624e-04 1.224104e-03 -6.000000e+00 2.861054e-03 282.22 -2.00 20.00 -2.00 319.47 0.00e+00 3.873 0.001 302.00 328.00 3 1.3637e+00 1.1983e-03 4.6957e-02 -6.0000e+00 1.6404e-01 -1.9661e-02 1.4622e-03 2.7825e-02 -6.0000e+00 1.7767e-01 -7.4479e-03 1.2758e-03 1.4119e-02 -6.0000e+00 1.0557e-01 -3.8049e-03 6.5381e-04 4.1940e-03 -6.0000e+00 4.4943e-02 1.8002e-03 -9.0274e-05 2.2890e-05 5.2200e-05 -6.0000e+00 3.0987e-03 7.8999e-03 0.0000e+00 11 8 0 10 0 0 19.55 23.28 0.16 0.00790 0.00722 606 161 2 8 0 78.140 20.01 23.28 26.86 27.05 27.26 1.5 911.97 -34309 -39557 -30344 -51261 -45584 -45933 -29924 -33471 -24095 -36541 -30632 -26731 -14072 -16342 -6917 -7087 -2629 -6049 -3473 -4298 -2845 -7742 -3501 -4313 -2880 -5800 -7159 -10525 -6011 -4833 -2417 -1258 -1515 -6395 -5632 -5102 -4690 -2296 25 -59 -189 85 648 -71 555 170 261 -7 -65 1230 1474 1662 1796 1538 1424 1325 612 676 325 667 1530 2366 3196 2060 311 239 -759 8 1394 1090 874 903 287 259 -961 -1569 -2758 -1920 -1588 -1417 -1157 -1502 -2030 -790 -223 413 592 1239 1179 739 776 -531 -834 -297 -462 22 991 692 -43 -211 -1083 -1596 -790 -671 -1364 -893 -803 -233 483 791 760 363 162 -324 -295 -97 -91 297 408 -63 289 645 550 411 211 -586 522 509 -101 -21 -465 -524 -452 39 -24 -61 646 360 -34 61 -193 -644 -467 -625 -443 -845 -669 -712 -444 -587 -428 -768 -637 -629 -360 -523 -241 -278 -107 -251 -149 -194 -128 -374 -175 -235 -165 -355 -436 -630 -381 -307 -173 -101 -135 -589 -493 -476 -505 -293 4 -10 -36 17 132 -15 116 36 56 -2 -15 296 392 480 561 513 494 475 224 242 115 240 586 1001 1368 944 141 104 -331 4 716 632 540 564 174 147 -497 -810 -1390 -1013 -880 -908 -841 -1207 -1737 -658 -199 387 575 1211 1126 663 697 -454 -700 -265 -430 24 1179 905 -53 -268 -1278 -1735 -842 -768 -1676 -1147 -1096 -315 706 1260 1274 609 261 -493 -422 -137 -134 461 670 -105 474 1026 845 603 321 -862 764 754 -167 -37 -822 -964 -870 80 -51 -127 1370 772 -75 129 -394 -1275 SS 20240903T064914.6Z 9012.284197 70 1 50.27 2 70.74 101.54 72.65 98.52 0.00 1 0.00 1 0 17 3.268e-02 6.855e-03 3.204e-03 3.792e-04 3.796012e-01 1.944530e-04 4.756665e-03 -6.000000e+00 1.896021e-02 230.09 -2.00 3.74 -2.00 319.01 0.00e+00 9.786585e-04 4.522162e-05 5.917079e-04 -6.000000e+00 8.260593e-04 282.22 -2.00 20.00 -2.00 318.30 0.00e+00 2.996 0.001 302.00 328.00 3 1.0479e+00 5.3871e-04 3.6350e-02 -6.0000e+00 4.7373e-02 -1.5581e-02 6.2051e-04 2.1302e-02 -6.0000e+00 5.1307e-02 -1.7505e-03 4.4967e-04 1.0525e-02 -6.0000e+00 3.0486e-02 -4.7936e-03 2.3608e-04 3.0200e-03 -6.0000e+00 1.2980e-02 6.3420e-03 -1.8800e-04 1.1129e-05 3.2582e-05 -6.0000e+00 8.9474e-04 6.9497e-03 0.0000e+00 11 8 0 10 0 0 40.06 23.39 0.18 0.00695 0.00554 1250 332 2 8 0 37.850 20.02 23.39 28.72 27.05 27.35 1.5 925.31 -4454 -7987 -6171 -14694 -11753 -15238 -8987 -9993 -6246 -11743 -9603 -7814 -5013 -3959 -205 -2414 -468 -800 489 -604 -976 -1133 70 -1060 -713 -969 -2203 -4616 -2502 -1667 227 327 474 -4383 -4016 -4108 -2626 -923 107 -235 -384 82 39 111 509 51 -12 -456 -543 723 970 902 1516 951 1049 1100 625 98 82 521 1393 2013 2776 1944 -7 79 -890 -46 1278 813 935 726 670 305 -521 -1370 -2265 -1755 -1305 -1528 -1176 -1824 -2047 -1009 -330 148 492 1127 990 673 604 -476 -710 -247 -332 19 932 540 -49 -248 -1040 -1526 -559 -645 -1275 -834 -705 -325 499 776 734 297 295 -273 -130 -10 -35 367 478 -117 239 500 542 506 407 -457 638 513 -2 22 -383 -445 -355 63 34 -109 628 257 -35 -41 -283 -777 -151 -302 -229 -538 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