File name: Pandora133s1_Heidelberg_20241027_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T134031.1Z 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_20241027_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: 20241027 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 20241027T105216.4Z 9066.452967 333 1 2.78 2 62.56 175.37 55.38 240.30 0.00 1 0.00 1 0 17 1.933e-02 8.486e-03 1.186e-02 4.501e-03 2.492778e-01 2.256698e-03 3.196726e-03 -6.000000e+00 1.094214e-02 223.31 -2.00 3.74 -2.00 316.95 0.00e+00 3.255595e-04 2.925811e-04 1.696117e-04 -6.000000e+00 4.752356e-04 275.55 -2.00 20.00 -2.00 316.36 0.00e+00 2.158 0.000 302.00 328.00 3 4.0348e+00 5.8688e-03 2.4897e-02 -6.0000e+00 2.6976e-02 2.5206e-02 6.5910e-03 1.3308e-02 -6.0000e+00 2.9385e-02 -2.9491e-03 3.9377e-03 6.6267e-03 -6.0000e+00 1.7485e-02 -2.4321e-03 1.9292e-03 1.9208e-03 -6.0000e+00 7.5162e-03 8.5660e-04 7.3091e-04 1.3094e-04 2.2072e-05 -6.0000e+00 5.2830e-04 9.2395e-04 0.0000e+00 12 9 1 12 9 1 -4855.13 22.39 0.18 0.00092 0.00642 3 19 1 8 0 691.830 19.98 22.39 19.69 26.32 26.51 1.6 866.10 1160 -1698 1416 -12475 -1272 -5530 3952 -2426 1032 -4487 523 -4875 -814 -1821 5825 -752 2507 -1347 2645 152 4810 -1099 2021 1708 2918 -1337 41 -3054 2544 680 420 -161 1030 -3641 -2233 -5513 -509 -1508 1138 -1421 -44 -629 -133 -1400 -335 -864 260 -481 135 435 2037 359 1067 331 587 -350 1654 -152 507 1083 1383 1922 2276 1053 -181 -234 -1710 -671 503 1382 498 654 506 579 344 -1605 -2346 -1569 -1636 -1002 -644 -1120 -2598 -872 -415 -38 -126 858 1311 444 455 -417 -650 -426 -200 60 1205 546 90 86 -965 -1479 -1142 -722 -1082 -268 -765 -741 963 1149 774 390 322 67 -415 315 -179 361 545 -264 380 521 356 464 -112 151 421 383 7 -46 -1060 -65 -269 196 -129 111 446 25 359 -127 -776 -375 160 -251 201 -1805 -154 -714 509 -369 163 -755 84 -885 -160 -409 1346 -195 649 -378 737 44 1342 -326 605 540 950 -459 14 -964 742 207 136 -56 373 -1326 -771 -2055 -201 -692 588 -821 -26 -386 -83 -880 -208 -538 157 -289 80 266 1288 240 741 239 427 -262 1220 -113 369 798 1058 1559 1947 925 -154 -188 -1348 -536 428 1266 476 633 481 532 295 -1293 -1822 -1219 -1370 -907 -623 -1148 -2763 -963 -479 -45 -155 1058 1583 516 498 -436 -654 -439 -218 70 1490 710 117 109 -1177 -1742 -1344 -886 -1390 -354 -1045 -1045 1395 1725 1178 589 466 93 -552 410 -239 503 790 -394 564 762 510 643 -150 197 547 517 10 -67 -1586 -97 -414 312 -212 186 759 43 607 -212 -1273 -605 SS 20241027T105759.4Z 9066.456938 336 1 46.85 2 62.50 176.93 56.19 241.64 0.00 1 0.00 1 0 17 1.253e-02 7.331e-03 3.711e-03 1.271e-03 2.508559e-01 6.358352e-04 3.212909e-03 -6.000000e+00 7.087951e-03 223.31 -2.00 3.74 -2.00 317.24 0.00e+00 8.701764e-04 8.835908e-05 1.509172e-04 -6.000000e+00 3.080595e-04 275.55 -2.00 20.00 -2.00 316.64 0.00e+00 2.154 0.000 302.00 328.00 3 4.4569e+00 1.6609e-03 2.4917e-02 -6.0000e+00 1.7474e-02 4.1173e-02 1.8688e-03 1.3418e-02 -6.0000e+00 1.9038e-02 -6.6922e-03 1.1304e-03 6.6993e-03 -6.0000e+00 1.1328e-02 -2.4451e-03 5.6069e-04 2.0225e-03 -6.0000e+00 4.8663e-03 5.5784e-04 1.2309e-04 3.7237e-05 2.2477e-05 -6.0000e+00 3.4245e-04 5.5014e-03 0.0000e+00 11 9 0 11 8 0 99.99 22.40 0.19 0.00550 0.00643 74 21 1 8 0 633.010 19.99 22.40 19.72 26.32 26.51 1.7 867.48 -1007 1021 -1534 -5327 -3802 -2092 -1246 -54 -1484 -4043 -3895 -2032 -861 -56 1016 -196 1673 1415 627 1375 55 502 808 -30 105 413 -1594 -1768 -779 861 596 1916 431 -3184 -3640 -2129 -2207 -47 -275 34 -753 195 -490 -5 162 -17 -683 92 -1045 599 933 1085 1034 1064 975 825 355 726 -104 392 1168 1535 2034 1358 -669 -315 -1373 -323 1227 824 593 994 518 548 -558 -1139 -1986 -1687 -1469 -1666 -1359 -1560 -2035 -899 -515 35 76 977 863 591 898 -451 -785 -81 -439 11 1144 746 52 -258 -893 -1430 -635 -448 -1366 -627 -554 -293 499 777 714 177 312 -148 -246 0 -176 298 514 212 164 673 600 595 453 -524 385 577 29 48 -510 -373 -395 92 -22 -102 665 367 -6 -92 -468 -887 -123 134 -202 -647 -415 -229 -148 -7 -214 -602 -573 -319 -153 -11 220 -46 396 350 162 362 15 133 223 -9 32 128 -483 -495 -207 243 174 597 145 -1067 -1152 -700 -826 -20 -133 18 -419 111 -287 -3 94 -10 -397 52 -590 345 574 682 687 736 687 593 257 515 -73 280 879 1210 1665 1147 -558 -241 -1049 -250 1012 737 564 953 486 484 -465 -884 -1497 -1279 -1191 -1479 -1296 -1563 -2147 -968 -595 41 93 1206 1041 685 975 -467 -771 -81 -470 13 1407 994 68 -329 -1094 -1687 -744 -551 -1759 -838 -755 -418 730 1200 1103 274 453 -209 -324 1 -235 422 756 315 249 998 858 827 618 -686 508 778 41 71 -771 -574 -626 148 -37 -175 1166 637 -11 -155 -788 -1459 SS 20241027T110846.5Z 9066.464427 341 1 46.62 2 62.45 179.90 57.76 244.13 0.00 1 0.00 1 0 17 1.325e-02 7.733e-03 6.049e-03 1.905e-03 2.495925e-01 9.499401e-04 3.192504e-03 -6.000000e+00 7.493266e-03 223.31 -2.00 3.74 -2.00 317.47 0.00e+00 8.748555e-04 1.397889e-04 1.711766e-04 -6.000000e+00 3.257081e-04 275.54 -2.00 20.00 -2.00 316.86 0.00e+00 2.151 0.000 302.00 328.00 3 5.0798e+00 2.4900e-03 2.4858e-02 -6.0000e+00 1.8473e-02 4.5457e-02 2.8072e-03 1.3360e-02 -6.0000e+00 2.0127e-02 -1.5750e-03 1.7189e-03 6.6773e-03 -6.0000e+00 1.1976e-02 -5.4164e-03 8.6122e-04 2.0237e-03 -6.0000e+00 5.1442e-03 2.9976e-04 1.6648e-04 5.6040e-05 2.2218e-05 -6.0000e+00 3.6206e-04 6.0975e-03 0.0000e+00 11 8 0 10 0 0 99.98 22.40 0.17 0.00610 0.00735 60 17 1 8 0 776.800 19.97 22.40 19.83 26.32 26.51 1.7 867.35 -498 1960 -423 -5655 -2346 -1420 -1831 -480 108 -4465 -4009 -2130 117 742 2402 208 2010 1760 -260 1180 -496 -637 968 -501 -42 244 -171 -875 -931 847 1261 1322 1099 -3849 -4426 -1870 -2653 -1372 208 -282 -650 -769 -502 -612 246 -107 -726 -957 -823 696 1063 1180 1447 1172 1168 657 511 1203 -27 -63 873 1405 2518 1567 -664 -427 -1286 -228 1042 820 700 916 745 668 -242 -1584 -2207 -1895 -1646 -1515 -1615 -1228 -1977 -874 -344 -17 277 967 682 393 1381 -352 -721 -469 -313 -78 1226 1058 58 -307 -1060 -1722 -606 -489 -1288 -653 -349 -433 592 643 864 186 236 -306 -488 -242 -128 177 601 70 423 788 408 383 599 -647 527 447 -67 -61 -536 -418 -420 399 105 -107 540 283 201 64 -441 -1053 -56 229 -50 -627 -230 -142 -199 -58 14 -609 -539 -306 19 134 476 45 439 401 -63 288 -122 -158 247 -136 -12 70 -47 -227 -235 218 343 388 340 -1202 -1321 -575 -925 -548 96 -144 -352 -427 -283 -345 139 -60 -398 -520 -441 381 615 722 921 772 783 451 353 818 -18 -43 628 1080 2042 1300 -534 -321 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