File name: Pandora272s1_Lauder_20260107_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260107T125553.6Z 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_20260107_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: 20260107 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 20260106T204348.6Z 9502.863757 628 1 55.17 2 54.00 86.53 87.16 290.31 0.00 1 0.00 1 0 17 3.763e-02 1.676e-02 6.006e-03 2.789e-03 2.207903e-01 1.444667e-03 2.737146e-03 -6.000000e+00 2.203900e-02 232.08 -2.00 3.69 -2.00 316.43 0.00e+00 -8.963216e-04 1.614363e-04 2.048592e-04 -6.000000e+00 9.396476e-04 278.52 -2.00 20.00 -2.00 315.79 0.00e+00 1.697 0.000 302.00 328.00 3 6.3306e+00 3.7887e-03 2.0213e-02 -6.0000e+00 5.5410e-02 5.2629e-02 4.2146e-03 1.2068e-02 -6.0000e+00 5.9878e-02 -1.7014e-02 2.4499e-03 5.8081e-03 -6.0000e+00 3.5450e-02 1.1457e-02 1.1386e-03 1.8250e-03 -6.0000e+00 1.4993e-02 1.4407e-04 -7.3597e-04 8.0121e-05 2.0294e-05 -6.0000e+00 1.0359e-03 1.9499e-02 -2.4056e-04 12 9 8 11 8 0 99.99 25.42 -0.04 0.01950 0.01397 15 2 1 8 0 3677.590 20.00 25.42 24.44 35.25 33.75 0.8 981.48 6933 2808 2198 7181 19561 -8393 -3217 -17341 2807 -11256 -6480 -6497 -956 -2351 -2780 1573 -8116 3945 -7005 2644 -1848 3351 -3076 3501 2970 1304 -3734 7080 3223 -3710 -2433 2063 -255 6373 -10257 6314 869 -4976 3525 3185 583 3481 -643 396 290 2721 1356 1631 -3864 2670 2543 1224 -10 797 -1450 71 1237 -1088 -3643 4620 4811 3636 116 2048 -2193 -2316 3975 -3775 1388 560 1031 765 -856 1337 -1163 -1363 -568 -2809 -2421 -1641 -2577 -67 -2370 -3855 -2908 589 320 230 272 -1272 152 -839 239 -534 -837 -992 -776 2297 684 2878 480 -557 -3102 -350 1531 -619 -45 1284 -488 -274 772 243 -589 1952 1074 -36 -946 830 -522 841 -38 -320 1151 511 2620 925 -1706 -356 -106 -435 419 -313 390 -667 -656 -319 -438 215 817 371 -325 -758 -652 1209 548 437 1254 2666 -1459 -564 -3891 571 -2771 -1495 -1518 -232 -648 -860 460 -2697 1193 -2441 861 -638 1087 -1090 1227 1093 505 -1521 2658 1151 -1381 -932 797 -98 2595 -4188 2337 337 -2349 1822 1937 365 2204 -435 267 194 1765 871 1100 -2677 1718 1711 814 -7 589 -1133 55 972 -876 -2947 3407 3623 2944 104 1931 -2158 -2106 3126 -3089 1115 509 1030 745 -854 1372 -1148 -1216 -452 -2129 -1850 -1376 -2441 -68 -2455 -4234 -3375 710 409 283 339 -1564 184 -937 261 -553 -891 -1063 -917 2917 880 3604 628 -686 -3657 -403 1876 -825 -58 1706 -689 -406 1196 360 -919 2780 1415 -48 -1233 1093 -689 1179 -56 -471 1643 707 3610 1232 -2213 -444 -138 -602 562 -439 551 -973 -1006 -516 -685 341 1315 590 -539 -1222 -1018 SS 20260106T205215.2Z 9502.869621 634 1 5.44 2 52.52 84.95 88.50 288.81 0.00 1 0.00 1 0 17 9.040e-03 7.106e-03 1.249e-03 8.517e-04 2.097853e-01 4.472496e-04 2.649266e-03 -6.000000e+00 5.302353e-03 232.08 -2.00 3.69 -2.00 314.99 0.00e+00 4.218897e-04 3.713695e-05 3.173484e-05 -6.000000e+00 2.256479e-04 278.52 -2.00 20.00 -2.00 314.45 0.00e+00 1.639 0.000 302.00 328.00 3 2.1882e+00 1.1565e-03 1.9446e-02 -6.0000e+00 1.3333e-02 2.6541e-02 1.2771e-03 1.1449e-02 -6.0000e+00 1.4399e-02 -1.8350e-03 7.3072e-04 5.5526e-03 -6.0000e+00 8.5246e-03 -2.1650e-03 3.2243e-04 1.5475e-03 -6.0000e+00 3.6118e-03 9.7947e-03 2.0527e-04 2.4128e-05 2.0100e-05 -6.0000e+00 2.4865e-04 1.5397e-02 1.1038e-04 12 9 1 12 1 1 99.80 25.43 0.37 0.01540 0.01694 43 46 1 8 0 123.610 19.99 25.43 24.91 35.25 33.75 0.8 983.84 458 227 -114 -2243 -2860 -1924 -1315 -56 1175 -694 -2236 -1401 -795 -139 745 99 374 397 865 1227 1038 784 1177 966 515 702 431 -243 -453 528 764 1421 1523 -170 -2547 -1950 -2157 -1564 -353 -266 -651 -618 -736 303 -448 -110 -321 -560 -1059 -543 623 798 875 1210 846 749 803 479 360 301 717 1075 1513 1729 784 -163 -407 -958 -111 590 593 703 507 729 228 -229 -572 -1273 -1218 -993 -1118 -1135 -1876 -2630 -1222 -683 -265 259 642 534 404 216 -149 -326 118 98 338 1000 563 313 -134 -743 -1406 -663 -581 -887 -575 -527 -275 367 456 645 348 303 -200 -156 84 131 187 445 104 335 536 475 482 637 193 400 547 300 210 -63 -267 -255 26 71 -117 337 115 -156 -261 -539 -981 150 76 -39 -734 -884 -598 -400 -18 400 -254 -817 -511 -299 -59 331 46 180 196 419 609 525 393 599 517 274 386 239 -128 -229 270 387 754 825 -97 -1396 -1073 -1228 -968 -236 -193 -503 -480 -590 243 -360 -88 -252 -441 -813 -410 483 634 706 1023 719 645 703 421 311 258 626 962 1411 1664 766 -153 -363 -852 -100 556 602 730 534 745 227 -220 -511 -1099 -1057 -917 -1086 -1149 -2003 -2876 -1366 -796 -317 320 785 654 472 244 -158 -342 122 107 386 1196 711 396 -166 -885 -1612 -753 -697 -1111 -731 -686 -363 496 636 918 484 414 -257 -194 104 162 241 602 144 463 727 639 627 806 239 492 683 388 279 -85 -358 -350 36 104 -173 508 173 -233 -385 -792 -1406 SS 20260106T212050.4Z 9502.889472 655 1 54.42 2 47.52 79.31 93.10 283.83 0.00 1 0.00 1 0 17 1.024e-02 7.698e-03 1.743e-03 1.077e-03 1.912861e-01 5.615936e-04 2.406398e-03 -6.000000e+00 6.003853e-03 232.08 -2.00 3.69 -2.00 315.37 0.00e+00 1.286517e-04 5.042691e-05 6.605982e-05 -6.000000e+00 2.556155e-04 278.52 -2.00 20.00 -2.00 314.81 0.00e+00 1.478 0.000 302.00 328.00 3 4.9588e+00 1.4571e-03 1.7600e-02 -6.0000e+00 1.5096e-02 3.9823e-02 1.6115e-03 1.0412e-02 -6.0000e+00 1.6306e-02 -4.0784e-03 9.2327e-04 5.0533e-03 -6.0000e+00 9.6533e-03 1.0664e-04 4.1317e-04 1.3934e-03 -6.0000e+00 4.0886e-03 7.3605e-04 2.6216e-05 3.0688e-05 1.8112e-05 -6.0000e+00 2.8168e-04 1.6058e-02 3.4472e-05 11 8 0 10 0 0 99.99 25.43 0.47 0.01606 0.01625 156 16 1 8 0 348.820 20.00 25.43 26.31 35.25 34.00 0.7 989.58 -65 362 -1076 -253 1668 -2427 -1006 -3046 1198 -1907 -2663 -1601 139 -442 201 851 -1364 895 -686 1604 -231 1537 298 1384 841 1131 -111 604 -202 -563 187 1366 855 1131 -4007 -698 -2671 -2167 150 273 -686 112 -1166 134 -235 321 -241 -330 -1624 -314 1403 920 805 1130 547 754 1053 278 -282 941 1361 1491 1381 1683 149 -354 239 -1399 240 497 570 741 253 718 24 -396 -570 -1359 -1397 -799 -1391 -917 -1850 -2808 -1484 -733 -137 165 422 213 470 -142 -442 -263 -321 -31 126 1052 887 764 215 -758 -1812 -393 -10 -708 -642 -93 -489 176 734 662 247 538 -92 -49 -497 51 326 438 117 151 482 515 906 784 -32 192 348 5 290 -108 -171 -382 -163 78 -9 322 200 -96 -320 -542 -820 -18 107 -328 -71 405 -585 -251 -854 356 -614 -847 -505 47 -154 78 355 -600 393 -316 742 -110 714 142 685 401 555 -55 304 -94 -253 87 655 438 596 -2080 -338 -1427 -1215 97 193 -501 84 -913 104 -182 247 -182 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