File name: Pandora272s1_Lauder_20260208_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260208T130230.9Z 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_20260208_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: 20260208 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 20260207T220709.7Z 9534.921640 647 1 54.27 2 46.32 63.44 66.82 271.25 0.00 1 0.00 1 0 17 2.876e-02 1.452e-02 3.947e-03 2.291e-03 1.862520e-01 1.191127e-03 2.319435e-03 -6.000000e+00 1.679192e-02 231.13 -2.00 3.69 -2.00 315.64 0.00e+00 2.164735e-05 1.132454e-04 8.490563e-05 -6.000000e+00 7.209728e-04 279.46 -2.00 20.00 -2.00 315.03 0.00e+00 1.446 0.000 302.00 328.00 3 6.3038e+00 3.0896e-03 1.7131e-02 -6.0000e+00 4.2107e-02 5.4782e-02 3.4231e-03 1.0037e-02 -6.0000e+00 4.5522e-02 -1.3172e-02 1.9676e-03 4.8786e-03 -6.0000e+00 2.6987e-02 7.0699e-03 8.9137e-04 1.3554e-03 -6.0000e+00 1.1450e-02 1.9899e-04 -2.9685e-04 6.5990e-05 1.7167e-05 -6.0000e+00 7.9142e-04 1.9564e-02 -1.3657e-04 12 9 8 11 8 0 99.99 25.37 -0.41 0.01956 0.01733 21 2 1 8 0 2583.730 20.00 25.37 21.45 35.25 34.00 0.9 969.47 7230 -3400 2968 1865 16088 -4099 -6882 -9975 -164 -10708 -5956 -2479 3044 -123 -55 1264 -4933 3268 -3101 918 -589 4138 -2009 3200 1335 1988 -1030 3823 1536 -2180 -2933 3500 881 3615 -8966 4747 -2434 -2765 1193 2553 -212 3566 -1377 33 137 2238 578 235 -4415 1653 1489 505 -426 550 -30 -444 517 -969 -2426 2139 2971 2323 1194 1759 -441 -1266 2396 -3730 1092 481 1168 1026 -217 1448 -271 -1404 70 -1750 -3039 -1278 -2002 -824 -2387 -3362 -1880 92 144 168 1280 -352 367 -886 -1490 -341 -793 -1049 -514 2171 280 2643 111 -1031 -3035 436 1023 -483 -542 1293 -438 -174 746 337 -177 1597 1201 124 -1180 86 -466 633 12 -244 1306 126 1765 507 -1198 20 -354 -667 344 -356 547 -808 -213 -9 -82 377 375 295 -191 -670 -917 1804 -918 758 488 3213 -959 -1743 -2870 -47 -3246 -1681 -747 948 -40 -20 488 -2077 1294 -1346 393 -259 1713 -900 1424 628 957 -510 1682 633 -903 -1265 1484 408 1667 -4366 1954 -1169 -1525 687 1695 -157 2651 -1104 26 108 1714 438 173 -3275 1138 1065 387 -344 462 -24 -362 424 -804 -2004 1814 2560 1975 1104 1712 -438 -1163 2105 -3334 957 438 1165 1078 -233 1486 -265 -1257 60 -1417 -2508 -1141 -1854 -831 -2618 -3605 -2117 109 181 219 1670 -453 435 -970 -1606 -340 -810 -1165 -580 2641 372 3405 138 -1219 -3419 513 1209 -617 -722 1772 -594 -247 1101 508 -260 2149 1590 153 -1435 107 -617 895 16 -339 1759 177 2305 637 -1451 25 -430 -861 460 -496 765 -1167 -300 -14 -126 592 600 465 -293 -1002 -1335 SS 20260207T223011.3Z 9534.937631 663 1 7.21 2 42.79 57.31 70.74 267.26 0.00 1 0.00 1 0 17 1.535e-02 1.084e-02 7.393e-03 5.077e-03 1.761946e-01 2.663086e-03 2.234912e-03 -6.000000e+00 8.967785e-03 231.13 -2.00 3.69 -2.00 314.90 0.00e+00 3.597039e-04 2.184780e-04 3.528242e-05 -6.000000e+00 3.847474e-04 279.46 -2.00 20.00 -2.00 314.36 0.00e+00 1.361 0.000 302.00 328.00 3 5.5096e+00 6.8671e-03 1.6205e-02 -6.0000e+00 2.2489e-02 5.2469e-02 7.5799e-03 9.5858e-03 -6.0000e+00 2.4306e-02 -1.0255e-02 4.3421e-03 4.6607e-03 -6.0000e+00 1.4409e-02 5.6198e-03 1.9202e-03 1.3007e-03 -6.0000e+00 6.1187e-03 4.8549e-04 5.8597e-05 1.4451e-04 1.7177e-05 -6.0000e+00 4.2227e-04 1.6556e-02 -3.2924e-05 12 9 9 12 1 1 999.00 25.37 0.13 0.01656 0.01700 1 2 1 8 0 3603.130 20.00 25.37 22.40 35.25 34.00 0.9 973.46 1126 339 -893 1101 3339 -1944 -315 -6200 2454 -6814 -3456 -1618 -782 595 -1369 258 -2205 1555 -1988 2542 -342 2520 1674 812 1045 2806 242 2395 -558 -288 627 1852 549 1186 -5670 -1961 -1587 -1870 198 1451 -309 320 -463 284 -508 -228 1226 -735 -2848 1021 956 504 845 1634 -315 807 566 690 -907 -175 1814 762 440 2174 1797 -607 617 -1574 -238 1177 1434 309 -358 680 139 -900 -224 -683 -682 -2402 -836 -910 -3418 -3593 -1401 -775 279 633 442 -7 200 -515 -201 -795 -241 -228 -114 1230 1157 1200 56 -1056 -2167 -208 511 -152 -958 114 -383 212 887 1064 494 446 692 -445 96 54 -279 730 -262 -145 1194 95 1002 797 -885 469 417 594 218 -210 15 -938 156 -739 258 261 137 850 -847 -482 -1229 364 119 -319 356 1012 -591 -99 -2072 827 -2634 -1261 -580 -302 252 -608 122 -1094 757 -1031 1294 -181 1280 870 444 590 1601 131 1282 -281 -140 311 949 303 666 -3178 -1023 -892 -1118 137 1082 -240 256 -383 235 -421 -187 966 -568 -2313 784 760 399 697 1401 -283 726 517 629 -824 -157 1630 691 430 2211 1831 -582 568 -1411 -216 1105 1483 322 -378 693 142 -839 -197 -596 -597 -2201 -791 -948 -3696 -4058 -1562 -925 348 775 550 -9 238 -592 -209 -822 -252 -244 -133 1492 1430 1475 69 -1238 -2532 -239 599 -191 -1206 149 -522 286 1249 1523 688 610 862 -543 114 66 -362 961 -364 -202 1614 126 1300 983 -1053 563 520 741 286 -272 20 -1258 218 -1049 374 388 209 1264 -1241 -684 -1706 SS 20260207T223446.1Z 9534.940811 666 1 4.55 2 42.11 56.02 71.52 266.47 0.00 1 0.00 1 0 17 8.300e-03 7.015e-03 6.768e-04 5.241e-04 1.697257e-01 2.757628e-04 2.167935e-03 -6.000000e+00 4.850731e-03 231.13 -2.00 3.69 -2.00 314.27 0.00e+00 4.267866e-04 2.019183e-05 1.428753e-05 -6.000000e+00 2.079872e-04 279.46 -2.00 20.00 -2.00 313.79 0.00e+00 1.346 0.000 302.00 328.00 3 1.4069e+00 7.0763e-04 1.5888e-02 -6.0000e+00 1.2165e-02 2.4745e-02 7.7957e-04 9.2694e-03 -6.0000e+00 1.3146e-02 -1.9556e-03 4.4688e-04 4.5039e-03 -6.0000e+00 7.7932e-03 -2.3820e-03 1.9379e-04 1.2690e-03 -6.0000e+00 3.3104e-03 3.0451e-02 1.6625e-04 1.4769e-05 1.7294e-05 -6.0000e+00 2.2827e-04 1.6983e-02 1.0110e-04 12 9 1 12 1 1 98.55 25.37 0.38 0.01698 0.01823 81 102 2 8 0 55.450 19.99 25.37 22.77 35.25 34.00 0.9 975.35 34 36 -126 -1849 -2322 -1376 -444 485 1163 -363 -1359 -1261 -800 19 785 467 141 374 805 1134 1023 414 1268 862 412 849 204 -397 -289 462 892 1242 1592 -132 -2277 -1931 -2254 -1420 -375 -348 -790 -731 -679 316 -448 -313 -479 -604 -878 -498 552 606 890 1126 681 729 870 500 337 332 790 985 1421 1779 727 -202 -478 -811 -124 687 492 611 379 596 213 -77 -432 -1109 -937 -808 -1223 -1175 -1879 -2640 -1075 -687 -260 213 562 497 388 204 -214 -315 -34 70 475 988 589 230 64 -725 -1310 -556 -495 -753 -621 -507 -356 261 557 595 489 331 -69 -187 -136 11 280 447 86 332 396 439 480 549 214 523 457 310 359 69 -245 -312 7 33 -80 298 71 -209 -190 -552 -956 14 16 -56 -778 -948 -528 -176 200 499 -166 -613 -567 -372 9 409 254 79 213 470 652 597 240 738 526 252 532 129 -246 -170 259 513 744 970 -81 -1385 -1170 -1425 -945 -274 -271 -656 -612 -584 271 -385 -267 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