File name: Pandora133s1_Heidelberg_20240704_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T104037.8Z 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_20240704_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: 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]: 305.0728 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 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 9.521e-03 7.347e-03 1.706e-03 9.289e-04 1.771038e-01 4.837166e-04 2.215973e-03 -6.000000e+00 5.606123e-03 233.52 -2.00 3.74 -2.00 315.94 0.00e+00 4.207687e-04 4.913685e-05 6.679316e-05 -6.000000e+00 2.412998e-04 282.76 -2.00 20.00 -2.00 315.25 0.00e+00 1.260 0.000 302.00 328.00 3 4.6761e+00 1.2677e-03 1.5940e-02 -6.0000e+00 1.4126e-02 2.4129e-02 1.4074e-03 9.7954e-03 -6.0000e+00 1.5245e-02 2.8940e-03 8.0677e-04 4.7176e-03 -6.0000e+00 9.0351e-03 -5.7939e-03 3.6534e-04 1.3189e-03 -6.0000e+00 3.8259e-03 1.1883e-03 2.3940e-03 2.6915e-05 1.5508e-05 -6.0000e+00 2.6053e-04 2.7497e-02 0.0000e+00 11 9 0 11 8 0 100.00 22.90 0.12 0.02750 0.04549 145 39 1 8 0 326.930 20.00 22.90 23.51 26.73 26.94 1.6 892.93 -664 1231 -482 -1114 -2470 -961 -1422 166 -34 -434 -2302 -498 -1442 -63 -160 133 744 1286 764 1533 -22 872 860 677 226 858 18 373 -116 1236 434 1451 907 -1989 -2856 -2604 -3216 -1431 -761 -848 -872 -43 -659 -35 -241 71 -532 -55 -1023 290 158 715 704 728 849 1316 450 762 117 820 853 1291 1927 1632 -269 303 -1308 -236 394 586 439 694 620 883 -119 -541 -1684 -1161 -1261 -1585 -1319 -1703 -2087 -1055 -419 -185 132 932 737 691 504 -518 -579 11 -186 109 909 561 -47 -196 -1048 -1230 -514 -371 -1239 -614 -621 -283 517 755 658 132 108 -445 -190 -30 -83 599 748 -44 215 527 305 177 426 -526 626 824 320 110 -335 -413 -159 363 366 -40 716 195 -126 -330 -612 -1037 -158 306 -119 -251 -504 -197 -310 40 -9 -114 -598 -133 -426 -20 -57 49 276 487 299 613 -9 352 355 292 101 390 8 153 -45 481 178 614 408 -887 -1213 -1148 -1556 -788 -479 -583 -630 -32 -491 -25 -177 52 -382 -38 -703 200 114 531 547 579 683 1070 371 616 95 674 728 1164 1816 1547 -245 257 -1078 -193 351 565 443 712 623 851 -109 -455 -1334 -918 -1055 -1445 -1305 -1770 -2242 -1175 -493 -228 166 1183 917 822 562 -544 -582 12 -199 124 1105 725 -62 -245 -1265 -1412 -588 -454 -1589 -806 -841 -392 738 1114 988 194 152 -592 -240 -38 -105 795 1042 -63 310 744 426 237 547 -664 766 1052 422 150 -467 -583 -230 535 563 -62 1146 315 -203 -523 -956 -1586 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 1.355e-02 8.444e-03 6.488e-03 3.025e-03 1.806351e-01 1.567399e-03 2.267130e-03 -6.000000e+00 7.976823e-03 233.52 -2.00 3.74 -2.00 316.52 0.00e+00 5.291907e-04 1.801187e-04 1.336796e-04 -6.000000e+00 3.433259e-04 282.76 -2.00 20.00 -2.00 315.79 0.00e+00 1.274 0.000 302.00 328.00 3 6.4397e+00 4.1361e-03 1.6186e-02 -6.0000e+00 2.0099e-02 3.6994e-02 4.6045e-03 1.0007e-02 -6.0000e+00 2.1692e-02 6.2392e-03 2.6611e-03 4.8285e-03 -6.0000e+00 1.2856e-02 -6.2338e-03 1.2334e-03 1.3594e-03 -6.0000e+00 5.4440e-03 1.9806e-04 2.3187e-03 8.8690e-05 1.5206e-05 -6.0000e+00 3.7068e-04 2.7161e-02 0.0000e+00 11 9 0 11 8 0 99.99 22.91 0.30 0.02716 0.04458 68 18 1 8 0 693.300 20.00 22.91 23.71 26.73 26.94 1.6 894.70 231 2305 -1006 -1781 -6936 2815 -3302 1513 1304 672 -3186 1374 -2397 237 -964 1909 807 2488 1412 2206 -848 -815 -74 91 -341 233 -1133 806 -607 1662 370 2024 1763 -2698 -1877 -2774 -4322 -1202 -1027 -924 -1031 125 -65 -17 671 339 -1723 -348 -1089 -244 -987 1441 796 421 1310 973 273 1044 618 307 710 1125 1690 2241 -291 613 -1424 -485 490 1016 569 1033 947 661 -33 -402 -2187 -1217 -1894 -1446 -1600 -949 -2044 -1047 -458 25 35 784 796 745 456 -524 -686 -422 -115 -187 1149 690 -1 -321 -1096 -1607 -293 -565 -1463 -923 -375 -453 959 790 969 42 170 -794 -335 -670 -328 317 1014 53 673 183 554 182 970 -793 661 560 244 -306 -463 -560 -84 611 446 -98 790 99 395 -464 -548 -1246 45 460 -204 -331 -1212 451 -600 292 274 143 -684 298 -596 64 -290 588 255 797 471 749 -296 -286 -26 34 -132 92 -438 283 -202 553 129 737 681 -1051 -681 -1056 -1861 -583 -578 -583 -678 84 -44 -12 455 227 -1135 -221 -676 -155 -661 990 570 314 982 743 211 796 467 236 567 964 1518 2039 -256 496 -1108 -377 412 939 554 1020 927 621 -28 -317 -1629 -898 -1516 -1274 -1522 -966 -2173 -1156 -536 30 45 1006 1009 890 509 -541 -667 -414 -120 -213 1413 897 -1 -408 -1322 -1843 -333 -690 -1903 -1232 -521 -648 1421 1218 1516 64 247 -1073 -427 -844 -420 426 1442 78 1001 269 787 248 1260 -1003 817 716 327 -427 -665 -815 -125 941 718 -161 1325 170 662 -769 -892 -1991 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 9.373e-03 7.485e-03 2.709e-03 1.663e-03 1.818203e-01 8.715879e-04 2.291210e-03 -6.000000e+00 5.519537e-03 233.52 -2.00 3.74 -2.00 315.45 0.00e+00 3.418727e-04 8.006196e-05 4.870743e-05 -6.000000e+00 2.375565e-04 282.77 -2.00 20.00 -2.00 314.80 0.00e+00 1.286 0.000 302.00 328.00 3 3.2777e+00 2.2716e-03 1.6319e-02 -6.0000e+00 1.3907e-02 2.9710e-02 2.5151e-03 1.0077e-02 -6.0000e+00 1.5010e-02 -1.0343e-03 1.4375e-03 4.8567e-03 -6.0000e+00 8.8954e-03 -4.5527e-03 6.4049e-04 1.3436e-03 -6.0000e+00 3.7670e-03 4.6470e-03 2.3817e-03 4.7726e-05 1.6528e-05 -6.0000e+00 2.5649e-04 2.6934e-02 0.0000e+00 12 9 1 12 1 1 99.81 22.92 0.20 0.02693 0.04483 15 65 1 8 0 194.390 20.01 22.92 24.00 26.73 26.94 1.6 896.79 -551 1470 -302 -1249 -2783 -610 -898 1254 -382 -596 -2137 -293 -1833 -326 71 648 220 1012 764 1203 198 912 849 962 201 1504 -18 -182 -112 1039 -24 1643 100 -1946 -3007 -2152 -2904 -1002 -942 -386 -1285 35 -624 -18 -216 201 -307 152 -954 537 173 603 277 738 716 1424 382 689 191 571 701 1586 1565 1728 -211 166 -1076 -83 437 334 325 796 780 748 30 -404 -1575 -960 -1281 -963 -1328 -1625 -2264 -1173 -774 -192 23 915 741 540 429 -320 -417 75 -197 217 1003 705 -42 -242 -1082 -1342 -274 -297 -1417 -704 -790 -232 592 748 782 314 62 -434 -291 -158 7 524 741 151 163 194 292 359 598 -703 605 817 471 208 -193 -121 -313 222 360 149 643 53 -257 -277 -677 -1018 -156 427 -88 -333 -689 -148 -233 351 -117 -184 -649 -91 -633 -122 29 273 94 440 343 546 91 415 397 465 100 763 -9 -85 -50 464 -11 793 51 -973 -1441 -1063 -1563 -599 -637 -281 -977 27 -489 -14 -168 155 -231 112 -697 394 133 476 226 616 605 1213 328 585 161 486 618 1466 1505 1677 -200 147 -924 -72 402 330 332 825 797 742 28 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