File name: Pandora272s1_Lauder_20260122_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260122T130134.8Z 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_20260122_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: 20260122 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 20260121T213822.2Z 9517.901645 603 1 3.94 2 47.24 74.04 80.74 92.07 0.00 1 0.00 1 0 17 9.202e-03 7.459e-03 3.544e-03 2.503e-03 1.872001e-01 1.315379e-03 2.398191e-03 -6.000000e+00 5.393210e-03 231.90 -2.00 3.69 -2.00 314.78 0.00e+00 3.301923e-04 1.049686e-04 4.330514e-05 -6.000000e+00 2.302586e-04 279.07 -2.00 20.00 -2.00 314.25 0.00e+00 1.470 0.000 302.00 328.00 3 3.9804e+00 3.3952e-03 1.7452e-02 -6.0000e+00 1.3552e-02 3.1131e-02 3.7456e-03 1.0278e-02 -6.0000e+00 1.4638e-02 5.3833e-04 2.1429e-03 4.9968e-03 -6.0000e+00 8.6702e-03 -2.4942e-03 9.4141e-04 1.3841e-03 -6.0000e+00 3.6761e-03 1.9889e-03 -1.9162e-04 7.0760e-05 1.8748e-05 -6.0000e+00 2.5316e-04 1.4093e-02 -9.4018e-06 12 9 1 12 1 1 78.71 25.46 0.41 0.01409 0.01265 4 7 1 8 0 786.250 20.00 25.46 26.92 35.25 33.75 0.6 990.18 758 262 -80 -2220 -1065 -1279 -1629 -1284 1179 -673 -1969 -1280 -241 -458 -55 1134 -787 -44 667 595 664 764 1460 736 708 1129 823 951 286 127 263 1614 1633 523 -3596 -1186 -2436 -1584 -291 -410 -810 -682 -1367 -4 -392 -31 -578 231 -1147 -386 652 443 927 1120 910 587 594 673 -156 109 765 1496 1433 2251 1117 -585 -190 -1068 460 660 454 608 285 1102 226 -203 -831 -1289 -1284 -978 -1118 -1049 -1907 -2512 -910 -563 -27 -36 571 -16 202 -4 -322 -124 -133 -180 419 988 635 445 -132 -594 -1503 -602 -547 -951 -478 -244 -359 285 425 414 147 429 444 141 18 -148 -101 796 301 184 364 240 786 474 49 820 914 323 168 52 -167 -260 132 -229 -421 375 78 -226 -318 -363 -958 270 94 -30 -775 -347 -396 -531 -459 423 -259 -753 -486 -99 -197 -25 550 -401 -23 353 306 347 394 758 403 402 659 483 524 154 66 141 848 913 305 -2046 -634 -1425 -994 -203 -305 -635 -555 -1152 -3 -328 -26 -471 180 -917 -301 521 360 786 952 801 524 539 610 -140 97 690 1365 1354 2240 1127 -554 -170 -962 417 640 452 638 304 1135 229 -195 -750 -1129 -1124 -899 -1103 -1056 -2005 -2773 -1016 -652 -33 -45 707 -20 236 -5 -348 -129 -141 -198 471 1183 794 557 -163 -711 -1695 -697 -662 -1194 -603 -311 -478 383 584 580 207 581 567 172 22 -181 -126 1036 413 253 492 314 996 591 60 969 1121 408 216 69 -219 -347 185 -331 -612 554 115 -329 -462 -513 -1363 SS 20260122T004311.7Z 9518.029997 734 1 53.65 2 25.40 5.24 51.09 54.71 0.00 1 0.00 1 0 17 1.330e-02 9.809e-03 2.063e-03 1.532e-03 1.427749e-01 8.072287e-04 1.788880e-03 -6.000000e+00 7.797411e-03 231.90 -2.00 3.69 -2.00 314.49 0.00e+00 -1.010221e-04 6.101384e-05 6.508799e-05 -6.000000e+00 3.328373e-04 279.07 -2.00 20.00 -2.00 313.99 0.00e+00 1.107 0.000 302.00 328.00 3 6.0765e+00 2.0812e-03 1.3129e-02 -6.0000e+00 1.9594e-02 4.0914e-02 2.2929e-03 7.7017e-03 -6.0000e+00 2.1162e-02 -7.6573e-03 1.3118e-03 3.7417e-03 -6.0000e+00 1.2535e-02 2.5162e-03 5.7089e-04 1.0514e-03 -6.0000e+00 5.3154e-03 3.7847e-04 9.1430e-05 4.3390e-05 1.4275e-05 -6.0000e+00 3.6593e-04 1.3902e-02 2.8522e-05 12 9 8 11 8 0 99.16 25.47 0.18 0.01390 0.01459 15 2 1 8 0 3576.190 20.00 25.47 27.48 35.25 33.75 0.8 996.05 2823 837 1679 -1515 3222 -1674 -2621 -3449 1563 -3418 -2960 -3308 1203 -568 -498 1132 -1758 382 -895 1103 17 1494 175 1365 832 1962 -341 1235 -222 -1428 -542 1585 1138 1229 -5813 425 -2414 -2499 142 1072 -264 896 -544 401 -293 832 115 112 -2345 -16 559 596 962 491 546 324 711 -187 -729 1739 1854 1483 1261 1984 164 -737 1074 -2308 419 -139 1063 815 13 1057 -79 -372 -683 -1565 -2148 -1355 -1808 -733 -1875 -3021 -1741 235 272 -9 1010 -71 -138 -475 -47 -385 -884 -423 97 1295 497 1870 309 -924 -2099 -462 251 -731 -356 581 -183 -123 797 543 100 846 855 21 -862 -236 -147 802 128 155 634 143 1161 542 -361 108 -115 -9 425 -185 -152 -660 22 114 -66 22 493 248 -402 -479 -976 1066 344 687 -592 1144 -590 -973 -1297 615 -1479 -1240 -1374 512 -271 -261 579 -942 203 -492 608 10 819 98 789 499 1196 -213 708 -127 -790 -303 897 629 695 -3283 235 -1363 -1608 98 852 -217 752 -474 349 -254 707 96 95 -1964 -12 456 512 801 429 490 294 651 -173 -665 1534 1671 1419 1213 1999 168 -742 964 -2032 365 -135 1061 860 14 1099 -78 -358 -631 -1341 -1836 -1252 -1740 -766 -1991 -3378 -1925 275 336 -11 1236 -91 -164 -547 -48 -396 -920 -443 111 1514 628 2319 369 -1113 -2393 -520 305 -901 -455 770 -239 -168 1127 781 139 1092 1066 26 -1034 -289 -181 1053 168 205 820 190 1442 642 -434 125 -138 -12 523 -236 -197 -869 31 156 -94 32 730 364 -576 -669 -1334 SS 20260122T004746.3Z 9518.033174 736 1 37.11 2 25.35 2.73 50.47 53.52 0.00 1 0.00 1 0 17 9.954e-03 8.029e-03 1.429e-03 1.131e-03 1.403125e-01 5.996266e-04 1.784766e-03 -6.000000e+00 5.836071e-03 231.90 -2.00 3.69 -2.00 314.08 0.00e+00 3.005793e-04 4.224653e-05 1.848027e-05 -6.000000e+00 2.490203e-04 279.07 -2.00 20.00 -2.00 313.62 0.00e+00 1.106 0.000 302.00 328.00 3 5.1864e+00 1.5401e-03 1.3090e-02 -6.0000e+00 1.4666e-02 3.3907e-02 1.6936e-03 7.6684e-03 -6.0000e+00 1.5838e-02 -5.3118e-03 9.7097e-04 3.7187e-03 -6.0000e+00 9.3808e-03 4.6057e-04 4.1832e-04 1.0333e-03 -6.0000e+00 3.9794e-03 9.2710e-04 2.9170e-04 3.1942e-05 1.4605e-05 -6.0000e+00 2.7376e-04 1.3331e-02 1.0382e-04 12 9 1 12 33 1 99.89 25.46 0.18 0.01333 0.01552 19 3 1 8 0 1854.210 20.00 25.46 28.24 35.25 34.00 0.8 998.74 1691 780 662 -791 -3821 -1730 -1373 -791 1454 -1620 -1657 -2163 189 -449 631 725 -86 875 -16 1386 958 883 1057 1172 921 1545 -125 533 -616 -239 326 932 1276 598 -3733 -1416 -2471 -1678 39 -219 -563 -694 -796 313 -317 -396 -447 -306 -1178 -338 374 543 914 820 852 669 614 412 67 834 1150 1305 1255 1911 652 -262 91 -1508 -18 778 772 703 408 845 254 -326 -468 -1124 -1523 -1122 -1386 -1116 -2044 -2714 -1374 -390 -138 367 660 407 266 43 -289 -514 -234 -17 133 1103 621 1017 167 -846 -1856 -651 -301 -735 -472 -115 -376 16 576 580 224 487 438 -52 -456 98 -37 616 142 242 518 382 809 495 59 466 355 130 335 18 -173 -353 -24 -44 -133 331 120 -53 -415 -478 -837 728 362 310 -347 -1630 -681 -561 -351 643 -773 -770 -997 91 -225 344 425 -52 528 -10 817 574 522 630 725 589 1008 -83 329 -373 -138 191 560 804 365 -2365 -840 -1593 -1145 29 -180 -481 -615 -723 283 -286 -354 -390 -255 -1003 -278 314 454 794 744 794 630 556 374 63 774 1087 1238 1276 1940 668 -261 86 -1374 -16 743 777 747 440 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