File name: Pandora272s1_Lauder_20251203_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20251203T125353.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Richard Querel Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 272 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora272_OF_v3d20240829.txt Instrument calibration file used: Pandora272s1_CF_v2d20241202.txt Level 1 file used: Pandora272s1_Lauder_20251203_L1_smca1c2d20241202p1-8.txt Full location name: Lauder Atmospheric Research Station Short location name: Lauder Country of location: New Zealand Location latitude [deg]: -45.0380 Location longitude [deg]: 169.6840 Location altitude [m]: 370 Local noon date: 20251203 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: OoB based on session 1 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0435 305.1840 305.3244 305.4648 305.6052 305.7456 305.8860 306.0263 306.1667 306.3070 306.4473 306.5877 306.7280 306.8683 307.0086 307.1488 307.2891 307.4293 307.5696 307.7098 307.8500 307.9902 308.1304 308.2706 308.4108 308.5510 308.6911 308.8313 308.9714 309.1115 309.2516 309.3917 309.5318 309.6719 309.8119 309.9520 310.0920 310.2321 310.3721 310.5121 310.6521 310.7921 310.9320 311.0720 311.2120 311.3519 311.4918 311.6317 311.7717 311.9115 312.0514 312.1913 312.3312 312.4710 312.6109 312.7507 312.8905 313.0303 313.1701 313.3099 313.4496 313.5894 313.7292 313.8689 314.0086 314.1483 314.2880 314.4277 314.5674 314.7071 314.8467 314.9864 315.1260 315.2656 315.4052 315.5448 315.6844 315.8240 315.9636 316.1031 316.2427 316.3822 316.5217 316.6612 316.8007 316.9402 317.0797 317.2192 317.3586 317.4981 317.6375 317.7769 317.9163 318.0557 318.1951 318.3345 318.4738 318.6132 318.7525 318.8918 319.0312 319.1705 319.3097 319.4490 319.5883 319.7276 319.8668 320.0060 320.1453 320.2845 320.4237 320.5629 320.7020 320.8412 320.9804 321.1195 321.2586 321.3977 321.5368 321.6759 321.8150 321.9541 322.0932 322.2322 322.3713 322.5103 322.6493 322.7883 322.9273 323.0663 323.2052 323.3442 323.4831 323.6221 323.7610 323.8999 324.0388 324.1777 324.3166 324.4554 324.5943 324.7331 324.8719 --------------------------------------------------------------------------------------- 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 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20251202T233711.0Z 9467.984156 956 1 17.29 2 25.45 30.09 151.52 145.18 0.00 1 0.00 1 0 17 9.835e-03 8.120e-03 2.487e-03 1.883e-03 1.582334e-01 9.905955e-04 2.009167e-03 -6.000000e+00 5.749453e-03 231.18 -2.00 3.69 -2.00 314.36 0.00e+00 3.309726e-04 7.262467e-05 1.775619e-05 -6.000000e+00 2.439221e-04 276.96 -2.00 20.00 -2.00 313.89 0.00e+00 1.107 0.000 302.00 328.00 3 5.2974e+00 2.5462e-03 1.3685e-02 -6.0000e+00 1.4433e-02 4.8465e-02 2.8076e-03 8.5883e-03 -6.0000e+00 1.5601e-02 -6.6935e-03 1.6073e-03 4.1842e-03 -6.0000e+00 9.2349e-03 1.4352e-04 6.9729e-04 1.1711e-03 -6.0000e+00 3.9151e-03 7.9270e-04 1.1617e-04 5.3228e-05 1.6031e-05 -6.0000e+00 2.7045e-04 1.3647e-02 5.4950e-05 12 9 1 12 33 1 99.51 25.35 0.65 0.01365 0.01452 7 3 4 8 0 2160.430 20.00 25.35 16.69 35.25 33.75 1.2 953.40 -413 -2 91 -1160 248 -2612 -1411 1396 1021 -1600 -2855 -1597 159 -1370 509 918 -679 1205 268 1048 925 1039 333 717 497 662 331 530 -307 10 1302 1015 1054 1130 -1911 -1031 -3704 -2691 -527 123 -71 451 -585 621 -435 -90 -478 -200 -1553 194 391 545 614 1128 809 578 527 146 -223 942 1076 1514 1187 1564 196 -436 130 -2027 163 590 786 689 67 985 467 -298 -538 -1626 -1717 -1309 -1379 -1095 -1880 -2701 -1213 -475 -202 20 571 639 372 -117 -518 -734 -370 388 888 1093 556 1109 22 -707 -1803 -541 -9 -896 -682 -146 -331 788 660 288 484 561 -59 55 -637 -445 -148 707 344 337 566 458 767 454 -215 357 712 192 297 -274 -26 -639 392 -85 -5 29 337 -55 -464 -541 -867 -168 -1 40 -476 88 -974 -500 526 425 -716 -1261 -691 73 -657 265 480 -368 651 150 597 534 590 193 430 308 421 212 317 -168 6 740 562 617 678 -1103 -606 -2249 -1726 -390 99 -60 390 -496 554 -388 -79 -412 -165 -1249 158 311 456 536 1024 718 519 479 133 -200 830 968 1435 1149 1595 203 -438 118 -1886 151 574 801 741 70 1043 469 -287 -490 -1380 -1451 -1203 -1337 -1104 -2049 -2944 -1386 -554 -248 24 703 802 435 -131 -554 -768 -389 416 988 1280 702 1388 27 -838 -2017 -598 -11 -1100 -870 -185 -438 1077 907 405 656 740 -75 67 -757 -541 -182 892 458 450 744 581 956 564 -255 407 837 239 368 -354 -34 -849 518 -119 -8 41 490 -80 -651 -740 -1206 SS 20251202T234157.9Z 9467.987476 964 1 7.59 2 25.04 27.68 151.07 143.17 0.00 1 0.00 1 0 17 1.152e-02 9.248e-03 4.345e-03 3.302e-03 1.583879e-01 1.735811e-03 2.013743e-03 -6.000000e+00 6.732895e-03 231.18 -2.00 3.69 -2.00 314.35 0.00e+00 5.403306e-04 1.270706e-04 1.378276e-05 -6.000000e+00 2.857380e-04 276.96 -2.00 20.00 -2.00 313.88 0.00e+00 1.103 0.000 302.00 328.00 3 5.3265e+00 4.4599e-03 1.3671e-02 -6.0000e+00 1.6901e-02 4.8852e-02 4.9191e-03 8.6250e-03 -6.0000e+00 1.8271e-02 -9.7658e-03 2.8165e-03 4.1913e-03 -6.0000e+00 1.0815e-02 3.0128e-03 1.2210e-03 1.1996e-03 -6.0000e+00 4.5841e-03 7.7187e-04 -1.9715e-04 9.3246e-05 1.5981e-05 -6.0000e+00 3.1681e-04 1.3400e-02 -2.1489e-05 12 9 1 12 1 1 999.00 25.36 0.30 0.01340 0.01192 2 2 1 8 0 2529.490 20.00 25.36 17.17 35.25 33.75 1.2 956.56 170 286 2232 -2648 2420 -2520 -1516 -1239 1424 -2419 -1165 -1644 -416 -287 64 224 -1214 509 83 1816 1482 840 -1232 1640 -8 1169 269 1517 -578 448 -241 2137 894 1727 -4185 1095 -2953 -2376 131 385 -1182 -448 -909 14 -755 131 200 -303 -2246 -444 -411 629 367 1087 870 578 387 973 499 1099 1464 2439 1556 1453 487 -932 -45 -1563 -7 1141 602 1274 -20 1136 12 -338 -787 -1608 -2024 -1166 -1073 -759 -1976 -2982 -1667 -440 28 172 787 354 335 -244 -78 -938 -137 -131 264 1689 503 1273 26 -1035 -1746 -726 -469 -782 -578 319 -408 -37 618 944 605 394 47 332 -603 -197 -342 43 558 -17 634 284 861 813 -537 631 562 229 568 -159 119 -621 -116 -77 -142 375 253 192 -345 -639 -1044 69 125 965 -1114 847 -948 -543 -484 594 -1097 -508 -715 -193 -137 34 119 -667 279 47 1032 856 481 -727 979 -5 742 172 899 -319 251 -140 1175 526 1034 -2480 632 -1785 -1524 96 311 -1002 -391 -773 12 -641 115 171 -251 -1823 -367 -329 527 322 989 773 520 353 881 445 968 1313 2294 1504 1487 503 -896 -41 -1450 -6 1105 616 1366 -21 1203 12 -326 -721 -1367 -1719 -1072 -1039 -765 -2160 -3267 -1917 -513 35 210 970 427 392 -274 -83 -986 -144 -141 296 1971 637 1596 32 -1233 -1958 -806 -563 -962 -739 405 -542 -49 852 1320 822 522 59 404 -718 -240 -423 54 742 -23 835 362 1076 1010 -641 719 663 286 705 -205 154 -827 -154 -105 -198 534 368 276 -484 -875 -1457 SS 20251202T234300.5Z 9467.988201 966 1 19.05 2 24.96 27.14 150.97 142.74 0.00 1 0.00 1 0 17 8.287e-03 7.139e-03 9.401e-04 7.497e-04 1.566138e-01 3.953701e-04 2.007802e-03 -6.000000e+00 4.844837e-03 231.18 -2.00 3.69 -2.00 314.05 0.00e+00 4.132140e-04 2.762353e-05 1.226489e-05 -6.000000e+00 2.055251e-04 276.96 -2.00 20.00 -2.00 313.62 0.00e+00 1.103 0.000 302.00 328.00 3 3.7675e+00 1.0137e-03 1.3621e-02 -6.0000e+00 1.2162e-02 4.1408e-02 1.1159e-03 8.5566e-03 -6.0000e+00 1.3146e-02 -6.0183e-03 6.3958e-04 4.1647e-03 -6.0000e+00 7.7817e-03 -8.2811e-04 2.7576e-04 1.1735e-03 -6.0000e+00 3.2993e-03 3.6964e-03 5.0269e-05 2.1095e-05 1.6308e-05 -6.0000e+00 2.2787e-04 1.3549e-02 7.4835e-05 12 9 1 12 1 1 96.95 25.35 0.33 0.01355 0.01393 37 11 1 8 0 501.270 20.00 25.35 17.46 35.25 33.75 1.2 957.40 217 10 -14 -1642 -1897 -959 -607 115 1112 -615 -1591 -1322 -399 -396 524 331 90 549 609 1195 937 602 1101 775 623 838 393 -246 -251 557 921 1409 1370 223 -2673 -1785 -2457 -1633 -454 -185 -803 -578 -619 370 -441 -154 -478 -626 -1082 -348 403 725 771 1057 624 553 826 501 317 332 884 1165 1275 1778 661 -287 -267 -1123 -113 559 427 713 437 727 303 -165 -498 -1148 -1015 -957 -1148 -1139 -1640 -2565 -1203 -751 -303 218 486 516 292 186 -269 -343 -77 86 419 903 705 451 154 -892 -1436 -508 -463 -760 -575 -428 -307 272 637 683 454 363 -86 -94 -221 10 77 499 65 319 477 353 595 669 43 443 535 216 307 -4 -18 -258 -51 82 -204 315 209 -249 -247 -552 -1000 98 5 -7 -757 -813 -384 -252 52 516 -288 -775 -636 -195 -203 295 192 54 330 375 716 571 363 666 489 407 537 253 -157 -152 321 542 858 841 143 -1640 -1090 -1552 -1113 -332 -152 -673 -501 -550 328 -391 -135 -410 -535 -893 -289 330 624 667 954 562 502 758 461 287 309 807 1123 1273 1807 679 -283 -247 -1030 -105 551 435 742 462 771 305 -161 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