File name: Pandora272s1_Lauder_20260129_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260129T130406.0Z 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_20260129_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: 20260129 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 20260128T193129.0Z 9524.813530 464 1 23.03 2 70.88 96.68 156.28 230.63 0.00 1 0.00 1 0 17 9.387e-02 1.485e-02 1.924e-02 3.402e-03 3.430962e-01 1.748708e-03 4.238634e-03 -6.000000e+00 5.494310e-02 231.59 -2.00 3.69 -2.00 318.16 0.00e+00 -5.615163e-04 3.142601e-04 2.838733e-04 -6.000000e+00 2.350488e-03 279.23 -2.00 20.00 -2.00 317.50 0.00e+00 3.016 0.000 302.00 328.00 3 4.5153e+00 4.7135e-03 3.4422e-02 -6.0000e+00 1.3795e-01 9.8712e-03 5.3150e-03 1.8951e-02 -6.0000e+00 1.4904e-01 -1.6137e-02 3.4427e-03 9.1959e-03 -6.0000e+00 8.8310e-02 1.1735e-02 1.7656e-03 2.5812e-03 -6.0000e+00 3.7461e-02 2.1978e-04 5.7909e-04 9.8301e-05 2.7781e-05 -6.0000e+00 2.5825e-03 1.7081e-02 3.6266e-05 12 9 9 12 9 1 99.18 25.40 0.12 0.01708 0.02143 7 2 1 8 0 2877.640 20.00 25.40 24.60 35.25 33.75 0.8 981.85 14887 -8437 -2347 2754 62973 -12654 -23558 -48796 -12844 -37718 -28877 -14002 18778 -1272 -6677 484 -16507 6788 -7691 1587 -3414 7429 -2678 5155 -835 8752 -3870 5081 3656 -3600 -4993 7536 1050 10081 -17727 11301 -862 -3140 2377 4212 -436 8065 -888 1306 2252 3166 1237 2797 -3682 3583 4088 901 1177 199 1716 -302 643 -305 -2755 3722 3875 2597 222 1717 -375 -850 3904 -3558 2422 931 729 567 -1331 939 -1383 -1599 -934 -1074 -3205 -1795 -1750 -252 -3417 -3620 -1921 -375 -469 326 694 -310 728 -941 -84 -281 -957 270 138 1834 -270 1987 202 -900 -2815 -903 781 -965 -470 913 -358 -166 464 93 -102 751 1270 230 -757 -63 -515 633 -11 135 1214 170 1886 1106 -443 317 498 70 780 -164 -1 -535 172 271 -562 -123 444 -26 -462 -699 -848 706 -560 -152 160 1797 -752 -1681 -5035 -1040 -4193 -2961 -1296 1433 -138 -886 67 -2624 991 -1365 268 -619 1205 -498 953 -158 1734 -801 1002 682 -723 -1100 1603 238 2193 -4823 2479 -213 -921 796 1647 -182 3258 -407 595 1015 1417 559 1228 -1715 1575 1906 470 653 119 1059 -180 389 -187 -1699 2305 2455 1648 158 1304 -297 -636 2624 -2533 1705 752 610 501 -1209 806 -1136 -1279 -672 -736 -2324 -1447 -1488 -236 -3353 -3744 -2088 -433 -536 383 823 -362 835 -1008 -83 -285 -953 294 159 2322 -356 2569 268 -1123 -3311 -1107 955 -1280 -610 1236 -518 -243 723 151 -164 1131 1868 318 -1037 -89 -772 949 -17 207 1812 262 2709 1529 -631 441 691 105 1177 -263 -2 -910 292 486 -999 -223 813 -48 -845 -1235 -1450 SS 20260128T193757.2Z 9524.818023 473 1 54.26 2 69.74 95.58 157.11 227.92 0.00 1 0.00 1 0 25 2.791e-02 7.751e-03 3.464e-03 9.761e-04 3.308717e-01 5.033256e-04 4.119614e-03 -6.000000e+00 1.633135e-02 231.59 -2.00 3.69 -2.00 317.45 0.00e+00 2.685179e-04 7.417043e-05 1.930216e-04 -6.000000e+00 6.989005e-04 279.23 -2.00 20.00 -2.00 316.80 0.00e+00 2.858 0.000 302.00 328.00 3 3.3700e+00 1.3385e-03 3.2777e-02 -6.0000e+00 4.1003e-02 1.5565e-02 1.4956e-03 1.8167e-02 -6.0000e+00 4.4305e-02 -8.7922e-03 9.1402e-04 8.8111e-03 -6.0000e+00 2.6252e-02 2.7968e-03 4.5668e-04 2.4376e-03 -6.0000e+00 1.1133e-02 8.0701e-04 -3.6218e-04 2.7911e-05 2.7008e-05 -6.0000e+00 7.6791e-04 1.7962e-02 -1.2698e-05 11 8 0 10 0 0 99.86 25.40 0.35 0.01796 0.01524 67 7 1 8 0 809.750 20.01 25.40 24.84 35.25 33.75 0.8 983.27 -4500 -4624 -6581 -337 10071 -7549 -10450 -15990 -3588 -11747 -9086 -7617 -1150 -312 -1416 1110 -3889 2266 -1438 1742 775 1876 74 2534 765 2783 -1272 1111 -572 -1102 -1339 2566 1360 2001 -1891 -24 -3273 -2304 269 820 -370 1269 -1198 184 -61 1082 106 72 -2085 376 1306 814 922 1253 968 655 973 246 -482 1204 1734 1372 1296 1944 769 -525 294 -1604 451 561 508 786 112 767 -23 -351 -871 -1511 -1688 -1086 -1334 -1089 -2155 -2706 -1401 -671 -268 151 823 365 430 -63 -100 -187 -314 -248 193 1173 545 593 -71 -873 -1904 -550 -183 -614 -555 -195 -276 289 789 453 176 455 11 -60 -211 93 174 471 201 191 610 391 798 481 -74 306 231 99 386 32 -153 -386 -36 15 -203 370 222 0 -309 -497 -882 -410 -468 -642 -32 776 -674 -1028 -1857 -412 -1423 -1078 -929 -150 -47 -251 216 -845 488 -338 413 174 453 17 614 199 742 -358 290 -142 -275 -361 728 429 659 -614 -8 -1147 -854 117 390 -185 658 -661 102 -34 596 58 39 -1149 204 747 506 572 826 669 465 664 170 -329 848 1245 996 1029 1571 642 -419 230 -1256 361 479 457 746 108 711 -20 -293 -701 -1160 -1337 -908 -1204 -1041 -2262 -2858 -1559 -762 -321 179 980 426 489 -69 -107 -190 -333 -277 229 1482 720 787 -91 -1084 -2309 -653 -224 -805 -729 -269 -387 413 1203 693 267 675 16 -83 -287 130 248 691 306 288 899 581 1118 672 -99 401 321 142 570 51 -236 -613 -58 25 -349 646 395 0 -522 -840 -1447 SS 20260128T194309.5Z 9524.821637 476 1 8.11 2 68.82 94.69 157.74 225.62 0.00 1 0.00 1 0 17 3.196e-02 8.642e-03 1.009e-02 3.044e-03 3.181962e-01 1.567353e-03 3.962834e-03 -6.000000e+00 1.870635e-02 231.59 -2.00 3.69 -2.00 317.33 0.00e+00 2.531141e-04 2.220188e-04 1.988076e-04 -6.000000e+00 8.003264e-04 279.23 -2.00 20.00 -2.00 316.67 0.00e+00 2.742 0.000 302.00 328.00 3 3.6909e+00 4.1663e-03 3.1463e-02 -6.0000e+00 4.6967e-02 1.8859e-02 4.6538e-03 1.7442e-02 -6.0000e+00 5.0745e-02 -9.2408e-03 2.8115e-03 8.4615e-03 -6.0000e+00 3.0067e-02 2.7582e-03 1.3944e-03 2.3417e-03 -6.0000e+00 1.2754e-02 6.6221e-04 -4.0954e-05 8.7100e-05 2.5730e-05 -6.0000e+00 8.7932e-04 1.6674e-02 7.6041e-06 12 9 1 12 33 1 63.15 25.40 0.27 0.01667 0.01637 6 5 1 8 0 1157.760 19.99 25.40 25.06 35.25 33.75 0.8 983.79 -5592 2289 -8710 4307 9238 -8132 -11318 -19720 2688 -16115 -7840 -7465 -650 1769 -310 294 -3507 3280 -3566 3763 1217 1971 2346 2041 315 2768 -720 1067 -955 -1898 -2836 1427 19 2804 -2221 445 -3773 -1947 349 1746 -1067 1053 -1287 499 646 691 -513 -192 -1420 -108 784 1108 1203 1097 802 1058 1383 -146 -438 1509 1526 1477 1413 2373 39 -607 750 -1801 839 576 199 843 -142 728 -201 -240 -762 -1461 -1696 -920 -1743 -1020 -1673 -2702 -1781 -610 -142 110 1121 265 786 -462 99 22 -81 -481 269 808 328 711 149 -1289 -2205 -233 -246 -804 -840 -416 -233 249 804 712 310 325 205 -30 -59 225 -220 1010 116 331 605 428 415 671 -206 187 555 257 657 -369 18 -296 -32 9 -257 64 -38 -70 -132 -184 -940 -569 239 -954 431 787 -799 -1226 -2357 316 -2218 -996 -983 -91 281 -58 61 -806 740 -905 923 313 501 612 522 86 774 -211 291 -248 -496 -805 423 6 941 -742 141 -1362 -736 155 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