File name: Pandora133s1_Heidelberg_20240704_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T130753.0Z 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_20240704_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: 20240704 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 20240704T134454.6Z 8951.572854 413 1 47.41 2 37.55 237.20 45.57 261.81 0.00 1 0.00 1 0 17 1.009e-02 7.274e-03 1.708e-03 9.290e-04 1.774729e-01 4.846770e-04 2.251758e-03 -6.000000e+00 5.931722e-03 233.52 -2.00 3.74 -2.00 315.97 0.00e+00 4.939486e-04 4.920638e-05 8.532173e-05 -6.000000e+00 2.555954e-04 282.76 -2.00 20.00 -2.00 315.27 0.00e+00 1.260 0.000 302.00 328.00 3 4.7415e+00 1.2701e-03 1.5985e-02 -6.0000e+00 1.4945e-02 2.4206e-02 1.4088e-03 9.8711e-03 -6.0000e+00 1.6138e-02 2.8882e-03 8.0857e-04 4.7633e-03 -6.0000e+00 9.5643e-03 -5.5743e-03 3.6760e-04 1.3132e-03 -6.0000e+00 4.0477e-03 1.1116e-03 -2.0824e-05 2.6897e-05 1.5888e-05 -6.0000e+00 2.7647e-04 1.9872e-03 0.0000e+00 11 9 0 11 8 0 100.00 22.90 0.12 0.00199 0.00183 145 39 1 8 0 326.930 20.00 22.90 23.51 26.73 26.94 1.6 892.93 -71 1142 -1613 -2975 -3315 -662 -632 926 87 -1196 -2740 132 -628 780 391 116 754 1385 847 1479 -379 818 1040 719 205 532 -892 -622 -554 1378 640 1831 924 -2761 -3146 -2066 -2364 -381 67 -537 -848 -56 -793 -229 -401 -216 -845 -338 -1155 465 378 857 859 751 813 1284 313 572 10 869 1043 1496 2049 1500 -644 10 -1444 -93 717 779 503 648 491 676 -398 -785 -1819 -1106 -1099 -1439 -1203 -1642 -2043 -990 -370 -159 140 925 716 667 490 -519 -575 1 -211 77 873 562 16 -102 -936 -1154 -573 -489 -1303 -681 -686 -351 427 695 704 292 349 -169 -5 -22 -202 389 569 -78 278 629 511 405 635 -312 575 591 120 -42 -388 -444 -319 85 171 -146 603 213 41 -162 -439 -963 -17 280 -394 -663 -680 -134 -139 222 22 -311 -704 35 -186 251 137 43 280 527 333 594 -154 327 431 312 91 243 -396 -256 -217 538 260 778 417 -1237 -1342 -900 -1150 -211 42 -371 -606 -41 -593 -169 -296 -158 -601 -234 -785 322 274 640 662 600 658 1048 260 465 8 707 882 1336 1912 1428 -591 8 -1195 -77 642 754 504 658 496 654 -363 -663 -1448 -878 -924 -1318 -1178 -1714 -2205 -1107 -438 -193 178 1164 894 797 550 -548 -580 1 -226 88 1066 720 21 -128 -1120 -1331 -659 -593 -1679 -898 -934 -490 612 1030 1048 429 489 -225 -6 -27 -257 512 797 -112 398 892 709 544 820 -390 708 747 159 -57 -543 -629 -456 127 264 -231 958 346 66 -254 -680 -1480 SS 20240704T135040.0Z 8951.576852 416 1 47.15 2 38.34 238.93 46.47 262.98 0.00 1 0.00 1 0 17 1.437e-02 8.376e-03 6.488e-03 3.024e-03 1.811047e-01 1.568625e-03 2.305394e-03 -6.000000e+00 8.448745e-03 233.52 -2.00 3.74 -2.00 316.55 0.00e+00 5.857535e-04 1.803007e-04 1.604025e-04 -6.000000e+00 3.640206e-04 282.76 -2.00 20.00 -2.00 315.81 0.00e+00 1.274 0.000 302.00 328.00 3 6.5050e+00 4.1399e-03 1.6235e-02 -6.0000e+00 2.1287e-02 3.7180e-02 4.6068e-03 1.0088e-02 -6.0000e+00 2.2986e-02 6.1276e-03 2.6642e-03 4.8745e-03 -6.0000e+00 1.3622e-02 -5.9499e-03 1.2374e-03 1.3457e-03 -6.0000e+00 5.7657e-03 1.8528e-04 2.6103e-06 8.8626e-05 1.5772e-05 -6.0000e+00 3.9374e-04 1.2779e-03 0.0000e+00 11 9 0 11 8 0 99.99 22.91 0.30 0.00128 0.00130 68 18 1 8 0 693.300 20.00 22.91 23.71 26.73 26.94 1.6 894.70 840 2216 -2179 -3693 -7817 3104 -2506 2298 1438 -74 -3614 2045 -1541 1122 -396 1894 809 2591 1485 2143 -1228 -882 112 141 -351 -77 -2044 -205 -1049 1821 577 2416 1784 -3503 -2196 -2225 -3444 -114 -156 -590 -998 123 -201 -221 502 31 -2061 -655 -1231 -69 -762 1587 955 443 1275 947 134 846 507 361 909 1344 1818 2091 -701 291 -1580 -334 841 1228 641 980 805 431 -344 -677 -2343 -1157 -1706 -1279 -1466 -878 -1990 -963 -395 60 47 771 757 692 412 -552 -696 -419 -118 -197 1135 700 49 -246 -1006 -1547 -341 -663 -1517 -980 -432 -515 878 739 1011 187 389 -542 -162 -658 -433 127 853 23 731 277 744 393 1162 -597 612 339 53 -449 -511 -587 -231 351 261 -197 682 117 553 -305 -386 -1179 163 443 -441 -679 -1368 498 -456 444 302 -16 -777 440 -380 301 -119 585 257 831 496 729 -430 -306 40 52 -135 -30 -783 -72 -351 607 202 881 691 -1367 -799 -848 -1486 -55 -88 -369 -657 83 -138 -150 337 20 -1361 -416 -766 -43 -512 1093 686 332 957 724 104 647 384 278 727 1153 1636 1907 -619 233 -1232 -260 709 1137 626 970 780 401 -300 -535 -1750 -855 -1368 -1116 -1398 -886 -2120 -1066 -463 73 60 991 951 829 456 -572 -678 -413 -123 -225 1384 911 64 -310 -1216 -1778 -389 -811 -1978 -1311 -595 -738 1289 1141 1567 286 565 -734 -207 -822 -556 171 1217 35 1078 407 1061 537 1512 -757 759 434 71 -628 -736 -857 -340 541 422 -325 1147 200 929 -506 -630 -1888 SS 20240704T135523.4Z 8951.580131 418 1 3.12 2 39.01 240.31 47.21 263.92 0.00 1 0.00 1 0 17 1.008e-02 7.446e-03 2.706e-03 1.664e-03 1.822588e-01 8.725730e-04 2.326103e-03 -6.000000e+00 5.924798e-03 233.52 -2.00 3.74 -2.00 315.48 0.00e+00 4.148316e-04 8.001522e-05 6.287892e-05 -6.000000e+00 2.552775e-04 282.77 -2.00 20.00 -2.00 314.82 0.00e+00 1.286 0.000 302.00 328.00 3 3.3429e+00 2.2737e-03 1.6363e-02 -6.0000e+00 1.4928e-02 3.0019e-02 2.5165e-03 1.0152e-02 -6.0000e+00 1.6119e-02 -1.2014e-03 1.4394e-03 4.9014e-03 -6.0000e+00 9.5529e-03 -4.2728e-03 6.4286e-04 1.3443e-03 -6.0000e+00 4.0432e-03 4.3472e-03 -7.8810e-05 4.7789e-05 1.7094e-05 -6.0000e+00 2.7612e-04 1.3638e-03 0.0000e+00 12 9 1 12 1 1 99.81 22.92 0.20 0.00136 0.00077 15 65 1 8 0 194.390 20.01 22.92 24.00 26.73 26.94 1.6 896.79 51 1401 -1389 -3050 -3589 -313 -123 2001 -249 -1329 -2558 325 -1032 509 624 647 242 1117 852 1162 -144 862 1037 1010 183 1190 -894 -1143 -533 1180 183 2016 127 -2680 -3285 -1640 -2085 4 -146 -85 -1265 20 -755 -208 -368 -72 -603 -115 -1079 702 384 740 424 761 681 1393 253 507 87 610 872 1773 1675 1606 -555 -99 -1199 41 729 509 382 754 665 564 -216 -619 -1694 -916 -1148 -844 -1237 -1576 -2230 -1128 -744 -179 24 908 733 541 443 -294 -402 51 -248 158 941 697 34 -127 -945 -1251 -349 -441 -1494 -785 -868 -314 485 676 830 493 330 -129 -87 -150 -124 295 547 115 231 303 511 603 821 -474 550 565 254 44 -250 -154 -482 -72 154 37 524 72 -80 -98 -495 -942 15 408 -404 -815 -881 -76 -32 561 -76 -412 -780 102 -358 190 252 271 103 487 379 529 -66 394 487 490 92 600 -446 -532 -237 523 85 966 64 -1344 -1579 -804 -1126 3 -99 -62 -965 15 -594 -162 -288 -56 -456 -85 -784 517 293 585 346 637 573 1181 218 432 73 521 771 1631 1605 1563 -523 -88 -1034 35 667 499 392 778 677 557 -201 -542 -1414 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