File name: Pandora133s1_Heidelberg_20241123_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T134543.3Z 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_20241123_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: 20241123 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 20241123T073419.6Z 9093.315505 278 1 27.62 2 84.86 130.13 44.25 221.38 0.00 1 0.00 1 0 25 5.939e-01 5.390e-02 3.966e-01 3.942e-02 9.398792e-01 2.239300e-02 1.132914e-02 -6.000000e+00 3.396558e-01 221.24 -2.00 3.74 -2.00 321.97 0.00e+00 5.022355e-04 7.755581e-03 2.788256e-03 -6.000000e+00 1.507015e-02 272.16 -2.00 20.00 -2.00 321.51 0.00e+00 9.649 0.019 302.00 328.00 3 8.5371e-01 7.0454e-02 1.0819e-01 -6.0000e+00 8.3404e-01 1.9419e+00 8.1435e-02 5.1553e-02 -6.0000e+00 9.1077e-01 -2.1521e+00 5.4417e-02 2.6367e-02 -6.0000e+00 5.4123e-01 8.0217e-01 3.1138e-02 8.3756e-03 -6.0000e+00 2.3341e-01 6.1794e-06 -5.8231e-04 1.0606e-03 1.2909e-04 -6.0000e+00 1.6837e-02 6.9111e-03 0.0000e+00 12 9 9 12 1 1 -86.01 21.71 0.53 0.00691 0.00254 13 7 4 8 0 1972.160 20.01 21.71 9.30 25.79 25.90 2.0 801.05 141723 15942 166012 900000 -11095 900000 21932 22847 15301 32345 -46282 30882 151420 19807 -1841 77646 288245 900000 39264 -14320 -22832 -7322 14840 -36571 15132 -44227 138346 900000 45456 900000 147052 48251 18559 -86848 -53980 50263 51181 53139 37696 -19262 141798 14512 86588 37273 900000 100552 884 12549 -42674 9082 52739 305054 43473 111316 55931 58066 53175 900000 30503 -5240 11244 22150 -1250 159 -11530 18943 481 52438 23489 37495 5649 34414 25250 7817 16363 6322 -35428 -1840 -17350 -4208 6235 92451 1694 3076 15994 11566 -4120 27587 -17849 9058 174975 -10651 -22152 -12890 -2987 -5854 7666 7555 -2625 4343 1949 -5658 -3478 -11423 -10113 -3081 4316 1258 -1312 3343 2734 -1191 4488 -924 -1563 -912 -11713 4345 -1702 6251 -523 8740 1273 1032 1206 -2245 -34 1304 -1044 1481 -1954 -501 -1303 3627 -1108 1309 745 -742 365 -1561 -1002 450 5440 2003 6372 900000 -1032 900000 1329 1371 968 1642 -4922 1784 5812 1763 -228 4729 11063 900000 3273 -1848 -2834 -733 1195 -4875 1194 -5841 5310 900000 1983 900000 5644 2996 1615 -19320 -7809 2639 2868 3329 3140 -3039 5443 1690 4908 3223 900000 4404 101 1323 -7969 1118 4660 11709 4737 6663 5766 5857 5435 900000 3347 -779 1475 2941 -233 32 -2579 3128 98 7044 4655 7112 1505 6853 5062 1648 2781 1080 -9044 -380 -4987 -1266 1967 14322 660 1245 6060 4744 -1989 9866 -9457 3489 12922 -4530 -11093 -6720 -1677 -3970 5344 5875 -2326 3456 1433 -3957 -2285 -8549 -7926 -2380 3373 1122 -1391 3877 3547 -1664 6008 -1270 -2093 -1217 -18172 6052 -2605 8776 -745 10969 1668 1310 1492 -2817 -44 1923 -1830 2849 -4303 -1159 -3264 9322 -3124 3681 2129 -2145 1005 -4085 -2409 1020 SS 20241123T074018.3Z 9093.319656 281 1 46.79 2 84.13 131.33 44.91 223.20 0.00 1 0.00 1 0 25 5.039e-01 2.426e-02 4.216e-01 1.378e-02 8.955819e-01 8.043996e-03 1.010747e-02 -6.000000e+00 2.884356e-01 221.24 -2.00 3.74 -2.00 322.40 0.00e+00 -4.226154e-03 4.587659e-03 3.922519e-03 -6.000000e+00 1.296094e-02 272.15 -2.00 20.00 -2.00 322.00 0.00e+00 8.703 0.014 302.00 328.00 3 9.2562e-01 3.0929e-02 1.0167e-01 -6.0000e+00 7.0827e-01 8.4562e-01 4.3968e-02 5.8185e-02 -6.0000e+00 7.7372e-01 -1.1436e+00 4.6135e-02 3.1975e-02 -6.0000e+00 4.6032e-01 4.5028e-01 2.1630e-02 1.0635e-02 -6.0000e+00 1.9936e-01 2.0464e-05 -2.4365e-05 4.1579e-04 1.7117e-04 -6.0000e+00 1.4291e-02 6.6702e-03 0.0000e+00 12 9 8 11 8 0 32.58 21.71 0.54 0.00667 0.00649 71 20 4 8 0 658.740 19.97 21.71 9.48 25.79 25.90 2.1 804.37 -116882 900000 121862 900000 -134667 900000 -176621 -131591 -94701 -142615 24427 -77557 13646 -109482 -64598 44804 900000 -34375 -51573 -53263 -86927 -118844 101222 -34783 -3126 -63580 40073 900000 -8035 117718 18575 -46435 -29501 -36538 -4582 184159 -89813 17081 51398 -16267 23619 26921 40694 -1357 900000 57434 -27972 24716 20531 -9883 18063 54093 33319 37216 97184 11784 23066 195586 7244 3785 11358 593 11708 22496 10750 14458 12543 14294 15227 34064 12224 22282 16499 7544 1100 -11502 -19729 -10500 6598 -2332 2273 15583 -1249 1786 6202 -376 5586 9853 -2222 -112 35429 -6142 -5398 -3275 739 -4921 -156 95 176 -2062 -1930 -4225 -2226 -6745 -3723 -6061 742 -2949 -90 484 1665 -1962 -160 -3398 -856 -114 -3560 1461 1500 1262 2457 3884 2182 291 3398 -1778 1093 51 871 276 -222 -951 257 66 585 180 1779 -493 -404 -42 -331 -2184 -1569 900000 1636 900000 -1808 900000 -3664 -1927 -1271 -2611 328 -1041 183 -2806 -1261 601 900000 -629 -1133 -1170 -2546 -4786 1359 -722 -50 -1862 538 900000 -118 1580 295 -1643 -972 -1248 -106 2472 -5809 459 1192 -854 893 1018 1341 -66 900000 1696 -1809 1095 1020 -675 1058 2687 2236 2598 3914 1050 1830 2888 661 351 1037 62 1272 2657 1312 1882 1592 1954 2378 4947 2327 3807 2799 1387 190 -2084 -3946 -2156 1382 -583 638 4336 -442 654 2316 -157 2256 3823 -944 -44 10035 -2361 -2167 -1471 379 -3165 -113 77 147 -1678 -1422 -2836 -1407 -4733 -2699 -4771 595 -2746 -94 580 2186 -2789 -223 -4756 -1130 -151 -5061 2085 2220 1845 3382 5057 2803 368 4072 -2198 1376 76 1484 536 -478 -2219 636 177 1654 524 5159 -1461 -1143 -110 -808 -5164 SS 20241123T080001.7Z 9093.333353 288 1 47.22 2 81.80 135.34 47.25 228.92 0.00 1 0.00 1 0 17 4.966e-01 3.246e-02 2.918e-01 1.329e-02 7.131196e-01 7.184837e-03 8.488678e-03 -6.000000e+00 2.820119e-01 221.24 -2.00 3.74 -2.00 321.54 0.00e+00 -7.107861e-04 3.281880e-03 2.690755e-03 -6.000000e+00 1.242334e-02 272.15 -2.00 20.00 -2.00 321.10 0.00e+00 6.580 0.006 302.00 328.00 3 3.3422e+00 2.3723e-02 7.6287e-02 -6.0000e+00 6.9344e-01 5.6918e-01 3.0397e-02 4.3188e-02 -6.0000e+00 7.5849e-01 -7.7746e-01 2.8678e-02 2.2357e-02 -6.0000e+00 4.4919e-01 3.3456e-01 1.4188e-02 6.9177e-03 -6.0000e+00 1.9209e-01 1.4937e-05 -3.5872e-04 3.8810e-04 1.0425e-04 -6.0000e+00 1.3872e-02 7.1423e-03 0.0000e+00 12 9 8 11 8 0 98.47 21.73 0.39 0.00714 0.00445 21 6 1 8 0 2248.220 19.99 21.73 10.76 25.79 26.00 1.9 809.29 -66781 -102059 51125 900000 -124612 900000 -111495 -141588 -122260 65837 27303 -19446 -35029 -49711 -52938 46532 355811 900000 -41655 -11223 -76159 -70654 -39096 -38149 36704 -65447 14654 47020 -12056 138284 96872 51641 5751 13623 -53518 28512 59178 9337 19801 -7362 33468 40943 9863 -10498 145325 40041 9058 9799 -997 6479 17796 25246 13576 14091 27920 6078 31914 83591 21850 -7831 -6474 4972 378 10242 3020 9257 13917 16402 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