File name: Pandora133s1_Heidelberg_20240816_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T105447.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora133_OF_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240816_L1_smca1c3d20240611p1-8.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: 20240816 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]: 305.0728 305.2141 305.3553 305.4966 305.6378 305.7790 305.9202 306.0614 306.2026 306.3438 306.4849 306.6261 306.7672 306.9083 307.0494 307.1905 307.3316 307.4727 307.6138 307.7548 307.8959 308.0369 308.1779 308.3189 308.4599 308.6009 308.7418 308.8828 309.0238 309.1647 309.3056 309.4465 309.5874 309.7283 309.8692 310.0100 310.1509 310.2917 310.4326 310.5734 310.7142 310.8550 310.9958 311.1365 311.2773 311.4180 311.5588 311.6995 311.8402 311.9809 312.1216 312.2623 312.4029 312.5436 312.6842 312.8249 312.9655 313.1061 313.2467 313.3872 313.5278 313.6684 313.8089 313.9494 314.0900 314.2305 314.3710 314.5115 314.6519 314.7924 314.9328 315.0733 315.2137 315.3541 315.4945 315.6349 315.7753 315.9157 316.0560 316.1964 316.3367 316.4770 316.6173 316.7576 316.8979 317.0382 317.1784 317.3187 317.4589 317.5991 317.7393 317.8795 318.0197 318.1599 318.3001 318.4402 318.5804 318.7205 318.8606 319.0007 319.1408 319.2809 319.4209 319.5610 319.7010 319.8411 319.9811 320.1211 320.2611 320.4011 320.5410 320.6810 320.8209 320.9609 321.1008 321.2407 321.3806 321.5205 321.6604 321.8002 321.9401 322.0799 322.2198 322.3596 322.4994 322.6392 322.7789 322.9187 323.0585 323.1982 323.3379 323.4776 323.6173 323.7570 323.8967 324.0364 324.1760 324.3157 324.4553 324.5949 324.7346 324.8741 --------------------------------------------------------------------------------------- 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 20240816T051420.7Z 8994.218295 62 1 46.96 2 82.17 78.25 140.69 284.74 0.00 1 0.00 1 0 25 6.766e-01 1.690e-02 3.132e-01 7.107e-03 7.771842e-01 4.234815e-03 1.121589e-02 -6.000000e+00 4.093770e-01 232.13 -2.00 3.74 -2.00 321.97 0.00e+00 5.067845e-03 2.538480e-03 1.485003e-02 -6.000000e+00 1.958901e-02 283.87 -2.00 20.00 -2.00 321.48 0.00e+00 6.841 0.007 302.00 328.00 3 1.8504e+00 1.6940e-02 1.1003e-01 -6.0000e+00 1.0350e+00 2.9320e-01 2.5173e-02 1.0440e-01 -6.0000e+00 1.1247e+00 -4.5957e-01 2.6127e-02 4.6318e-02 -6.0000e+00 6.5972e-01 1.8370e-01 1.1775e-02 9.7278e-03 -6.0000e+00 2.8091e-01 5.0610e-05 2.3539e-03 2.1626e-04 3.3150e-04 -6.0000e+00 1.9387e-02 2.7343e-02 0.0000e+00 12 9 8 11 8 0 60.64 23.40 0.57 0.02734 0.04503 76 20 4 8 0 617.710 20.00 23.40 25.38 27.05 27.35 1.5 903.42 900000 -128229 900000 -99466 -264551 900000 900000 -262416 900000 -200066 900000 -152889 900000 -195769 900000 900000 900000 125522 900000 -25537 -19348 -170663 900000 -109312 126126 -8662 267723 44829 900000 -38658 900000 -44770 109443 -35990 335128 -12293 -21819 -539 4147 15432 43828 -18087 30968 4788 34975 22420 14260 -6067 6807 14200 7826 13950 14287 11597 24642 4562 19559 19065 23702 6770 8809 6012 16435 14919 -1737 9783 4043 -293 7019 14553 8884 7979 4259 -1360 2827 -131 -7596 -2309 -1367 -738 -2371 8757 -3114 -327 2493 590 849 4008 904 2068 -12062 -3245 -3272 -1903 -528 -1809 137 -44 -242 -797 -2235 -1100 -961 -483 -2727 -3749 -174 -927 -196 678 385 -351 150 -1040 -172 -213 -53 902 690 779 1027 1566 1754 644 -548 -90 878 1266 -151 364 -500 51 -933 -156 -317 -82 1012 255 -190 492 -324 -1132 900000 -886 900000 -687 -3988 900000 900000 -4780 900000 -2262 900000 -1441 900000 -4919 900000 900000 900000 867 900000 -241 -170 -6861 900000 -2747 871 -96 1850 310 900000 -694 900000 -1268 756 -1069 2316 -289 -648 -16 140 544 1272 -1037 1134 232 1281 960 690 -382 404 873 584 1089 1224 1106 2162 508 1892 1805 2080 711 980 785 2237 2278 -288 1582 718 -59 1376 2998 2065 1885 995 -339 606 -27 -1664 -531 -374 -218 -833 3102 -1334 -146 1159 295 439 2032 462 982 -6183 -1472 -1521 -975 -313 -1282 112 -41 -228 -724 -1882 -823 -693 -370 -2273 -3339 -162 -958 -228 887 550 -521 219 -1472 -233 -288 -74 1335 1071 1204 1523 2226 2407 859 -718 -115 1143 1861 -259 693 -1048 113 -2042 -365 -787 -209 2597 660 -475 1146 -781 -2633 SS 20240816T055600.8Z 8994.247231 68 1 48.00 2 75.47 86.00 146.71 295.33 0.00 1 0.00 1 0 25 1.178e-01 6.672e-03 1.600e-02 7.870e-04 4.819352e-01 4.129171e-04 5.850691e-03 -6.000000e+00 6.900803e-02 232.12 -2.00 3.74 -2.00 320.16 0.00e+00 1.932851e-03 1.409993e-04 1.592674e-03 -6.000000e+00 2.999933e-03 283.87 -2.00 20.00 -2.00 319.48 0.00e+00 3.903 0.001 302.00 328.00 3 1.1793e+00 1.2364e-03 4.7280e-02 -6.0000e+00 1.7320e-01 -1.8332e-02 1.5095e-03 2.7841e-02 -6.0000e+00 1.8712e-01 -4.6260e-03 1.3059e-03 1.4734e-02 -6.0000e+00 1.1110e-01 -6.2447e-03 6.6605e-04 5.0189e-03 -6.0000e+00 4.7216e-02 2.0946e-03 2.6025e-03 2.3349e-05 5.9034e-05 -6.0000e+00 3.2233e-03 3.0013e-02 0.0000e+00 11 9 0 11 8 0 99.07 23.43 0.18 0.03001 0.04957 745 198 2 8 0 61.370 20.01 23.43 27.16 27.15 27.35 1.5 913.38 -48002 -37245 -34516 -43929 -46831 -47732 -38936 -34050 -34438 -27842 -25409 -24977 -20875 -17274 -7153 -8253 -3287 -5182 -3408 -3386 -6057 -6290 -2605 -7714 -4109 -5295 -5175 -9590 -7135 -5449 -2803 -1281 -1663 -5652 -4825 -6829 -5328 -3364 -823 -727 -248 -492 302 662 889 382 257 -496 355 676 1172 1187 2167 969 1773 1284 886 518 648 562 1471 2003 2889 2571 711 625 -742 -360 1337 837 1250 1139 981 535 -230 -997 -2346 -2104 -1638 -1749 -1316 -1847 -2029 -1086 -312 193 703 1346 1419 974 519 -401 -686 -549 -624 -262 839 485 96 -148 -949 -1371 -490 -793 -1350 -929 -754 -189 551 775 679 238 58 -471 -372 -12 -110 263 401 -192 270 473 549 375 106 -653 614 624 131 70 -499 -419 -203 169 105 -11 722 192 -114 -96 -299 -595 -700 -543 -503 -651 -665 -711 -592 -562 -637 -506 -470 -535 -530 -520 -234 -309 -128 -223 -153 -160 -269 -314 -122 -412 -225 -307 -296 -599 -435 -363 -191 -98 -142 -498 -402 -617 -547 -409 -119 -121 -45 -94 59 131 178 78 53 -105 77 157 300 331 647 312 589 443 311 179 220 195 542 817 1302 1132 339 285 -341 -173 660 468 742 686 572 292 -125 -496 -1139 -1072 -955 -1085 -924 -1437 -1677 -950 -292 190 660 1273 1420 915 454 -331 -556 -475 -610 -268 967 616 124 -182 -1083 -1441 -547 -882 -1609 -1159 -998 -266 842 1198 1105 388 91 -693 -555 -18 -169 396 640 -314 431 732 881 574 157 -933 874 968 209 122 -920 -801 -405 334 221 -23 1587 428 -247 -199 -635 -1227 SS 20240816T062444.7Z 8994.267184 72 1 46.91 2 70.81 91.43 150.54 304.17 0.00 1 0.00 1 0 25 3.269e-02 6.891e-03 2.939e-03 3.469e-04 3.780846e-01 1.792615e-04 4.628032e-03 -6.000000e+00 1.915230e-02 232.12 -2.00 3.74 -2.00 319.01 0.00e+00 1.177262e-03 4.181240e-05 6.785744e-04 -6.000000e+00 8.322509e-04 283.87 -2.00 20.00 -2.00 318.27 0.00e+00 3.006 0.001 302.00 328.00 3 7.1469e-01 4.9926e-04 3.6411e-02 -6.0000e+00 4.8070e-02 -1.4906e-02 5.7480e-04 2.1107e-02 -6.0000e+00 5.1924e-02 -3.3164e-03 4.1234e-04 1.0562e-02 -6.0000e+00 3.0830e-02 -4.6463e-03 2.1517e-04 3.4028e-03 -6.0000e+00 1.3110e-02 8.7548e-03 3.0077e-03 1.0217e-05 3.4718e-05 -6.0000e+00 8.9413e-04 2.6460e-02 0.0000e+00 11 8 0 10 0 0 15.14 23.51 0.19 0.02646 0.04906 1498 398 2 8 0 29.350 20.01 23.51 28.31 27.15 27.45 1.5 922.92 -8585 -5328 -6455 -10149 -13112 -13126 -12145 -8708 -8253 -11237 -10318 -9199 -6657 -4342 -2338 -1715 -966 -279 562 284 -976 -699 -734 -1405 -997 -532 -2076 -2819 -2832 -1638 -858 558 322 -2969 -4485 -4276 -3773 -2041 -943 -583 -604 105 16 516 587 673 256 -116 -614 653 430 952 1207 1040 959 1206 716 522 195 706 1086 1840 2494 2131 362 519 -844 -152 745 647 867 904 932 908 -37 -844 -2089 -1721 -1575 -1717 -1415 -1855 -2145 -1100 -502 141 365 1146 1098 850 538 -323 -663 -293 -448 -25 788 533 -116 -224 -1070 -1416 -579 -544 -1321 -804 -753 -240 504 738 653 228 161 -419 -264 36 -18 452 497 -68 218 474 436 431 306 -545 715 759 168 172 -348 -355 -190 230 143 -55 641 175 -232 -162 -407 -762 -298 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