File name: Pandora272s1_Lauder_20260126_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260126T130344.4Z 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_20260126_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: 20260126 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 20260125T204920.1Z 9521.867593 570 1 6.74 2 56.54 83.38 136.73 118.75 0.00 1 0.00 1 0 17 9.426e-03 7.140e-03 1.819e-03 1.085e-03 2.448006e-01 5.662725e-04 3.085257e-03 -6.000000e+00 5.521767e-03 231.72 -2.00 3.69 -2.00 315.57 0.00e+00 4.091064e-04 5.271723e-05 5.018942e-05 -6.000000e+00 2.359179e-04 279.16 -2.00 20.00 -2.00 314.97 0.00e+00 1.808 0.000 302.00 328.00 3 2.6374e+00 1.4694e-03 2.1916e-02 -6.0000e+00 1.3869e-02 2.9228e-02 1.6275e-03 1.3324e-02 -6.0000e+00 1.4981e-02 -3.6107e-03 9.3404e-04 6.4781e-03 -6.0000e+00 8.8751e-03 -1.8966e-03 4.2138e-04 1.8030e-03 -6.0000e+00 3.7652e-03 4.9865e-03 9.1897e-05 3.0719e-05 2.2377e-05 -6.0000e+00 2.5927e-04 1.5064e-02 8.2895e-05 12 9 1 12 1 1 99.26 25.42 0.33 0.01506 0.01575 28 24 4 8 0 232.330 20.01 25.42 23.81 35.25 34.00 0.8 979.26 -382 -729 -1 -2479 -1773 -1881 -1795 -1179 790 -975 -2460 -2127 -1297 179 1005 649 -145 762 1001 1200 666 673 1314 709 567 833 216 -112 -355 294 681 994 1374 239 -2911 -2316 -2506 -1683 -201 173 -823 -206 -795 449 -95 -192 -151 -112 -934 -483 465 997 678 1078 1002 1071 845 292 197 269 1062 1330 1445 1896 785 -249 -267 -1051 -364 461 536 610 256 573 276 -254 -677 -1456 -1216 -733 -1071 -1421 -1780 -2580 -1326 -726 -178 233 575 474 556 221 -94 -377 49 151 386 931 669 459 77 -808 -1572 -630 -595 -933 -628 -416 -277 216 633 660 424 306 -230 -136 -7 63 298 555 110 297 548 466 540 543 34 366 406 189 386 3 -384 -243 87 92 -225 289 191 -130 -275 -568 -838 -98 -204 0 -681 -429 -435 -438 -316 230 -286 -724 -635 -426 62 367 262 -58 314 428 529 300 301 595 323 270 410 108 -53 -164 132 320 470 697 121 -1509 -1153 -1286 -936 -125 116 -589 -154 -590 334 -70 -143 -110 -82 -679 -347 346 758 525 878 817 887 714 249 165 223 891 1143 1298 1757 743 -229 -235 -929 -318 432 523 627 259 579 271 -234 -604 -1222 -1029 -661 -1018 -1456 -1915 -2840 -1492 -850 -213 288 701 579 650 250 -101 -393 52 165 453 1142 866 596 95 -992 -1858 -735 -729 -1161 -813 -551 -373 298 901 966 607 422 -309 -173 -9 80 391 761 154 414 769 632 709 696 42 459 519 252 527 5 -534 -345 126 138 -343 449 297 -205 -417 -856 -1258 SS 20260125T205816.5Z 9521.873802 575 1 49.91 2 54.97 81.65 135.42 116.47 0.00 1 0.00 1 0 17 5.034e-02 1.690e-02 6.522e-03 2.757e-03 2.355948e-01 1.425602e-03 2.923851e-03 -6.000000e+00 2.946394e-02 231.72 -2.00 3.69 -2.00 316.63 0.00e+00 -5.482161e-04 1.684144e-04 1.601265e-04 -6.000000e+00 1.260177e-03 279.16 -2.00 20.00 -2.00 315.98 0.00e+00 1.737 0.000 302.00 328.00 3 6.1783e+00 3.7411e-03 2.1054e-02 -6.0000e+00 7.4001e-02 4.6434e-02 4.1652e-03 1.2827e-02 -6.0000e+00 7.9956e-02 -1.6313e-02 2.4409e-03 6.2172e-03 -6.0000e+00 4.7368e-02 1.2644e-02 1.1521e-03 1.7952e-03 -6.0000e+00 2.0079e-02 1.5656e-04 1.3041e-04 7.9609e-05 2.0536e-05 -6.0000e+00 1.3851e-03 1.7311e-02 -7.3331e-05 12 8 8 10 0 0 99.78 25.43 0.10 0.01731 0.01829 13 1 1 8 0 3838.410 20.01 25.43 24.51 35.25 33.75 0.8 982.19 4483 -2065 2710 1526 38599 -6710 -3340 -19881 459 -16464 -10518 -11756 4776 3729 -2074 381 -7652 4668 -6368 1831 84 6343 -2915 3519 3213 4151 -3124 6001 3155 -3168 -5666 6601 653 6141 -12390 7340 -1628 -3690 2004 4355 -526 4983 -313 772 648 3180 889 1721 -3582 1057 1934 539 713 639 -265 -724 435 -1507 -2616 4401 3942 2576 667 1605 -1244 -2120 3895 -4658 1673 693 1021 634 -585 723 -897 -1023 -220 -1280 -3160 -1099 -2540 -438 -2717 -3928 -2827 842 285 -734 1301 -822 353 -1429 -47 -439 -429 -243 -540 1988 -64 3332 506 -652 -3149 -178 1152 -718 -551 1333 -469 -238 817 -122 -66 1244 1642 384 -1181 309 -687 1228 422 -199 1466 -24 1609 544 -936 -112 -5 148 1079 -795 148 -1111 -98 -169 -425 -205 547 159 -33 -646 -835 714 -379 482 255 3933 -1036 -529 -4121 86 -3856 -2288 -2630 1000 888 -535 105 -2362 1312 -2069 565 27 1879 -970 1159 1110 1471 -1193 1960 1070 -1016 -1950 2345 240 2207 -5015 2607 -626 -1665 1018 2540 -324 3027 -206 508 423 2013 563 1048 -2240 684 1190 359 498 471 -204 -570 344 -1217 -2092 3248 2991 2107 600 1409 -1128 -1944 3105 -3901 1360 639 957 628 -592 700 -828 -924 -178 -973 -2484 -937 -2276 -425 -2903 -4441 -3130 966 347 -937 1650 -1035 408 -1653 -49 -433 -435 -268 -661 2447 -86 4332 642 -779 -3867 -212 1366 -925 -739 1840 -643 -344 1234 -191 -100 1748 2260 495 -1507 400 -955 1801 606 -286 2184 -35 2179 707 -1174 -146 -6 200 1517 -1183 222 -1609 -148 -270 -703 -347 935 267 -54 -1024 -1285 SS 20260125T210410.2Z 9521.877896 578 1 54.18 2 53.95 80.49 134.54 115.02 0.00 1 0.00 1 0 17 4.581e-02 1.695e-02 6.973e-03 2.892e-03 2.257500e-01 1.495997e-03 2.819273e-03 -6.000000e+00 2.681775e-02 231.72 -2.00 3.69 -2.00 316.63 0.00e+00 -9.162369e-04 1.773020e-04 3.166880e-04 -6.000000e+00 1.146757e-03 279.16 -2.00 20.00 -2.00 315.98 0.00e+00 1.695 0.000 302.00 328.00 3 6.3461e+00 3.9299e-03 2.0377e-02 -6.0000e+00 6.7355e-02 3.3662e-02 4.3749e-03 1.2354e-02 -6.0000e+00 7.2772e-02 1.9972e-05 2.5580e-03 5.9375e-03 -6.0000e+00 4.3112e-02 1.7868e-03 1.2110e-03 1.8880e-03 -6.0000e+00 1.8278e-02 1.4082e-04 3.6589e-04 8.4017e-05 2.0719e-05 -6.0000e+00 1.2604e-03 1.7175e-02 -2.9966e-05 12 9 8 11 32 0 99.98 25.43 0.36 0.01717 0.01992 27 3 1 8 0 2006.410 19.99 25.43 24.82 35.25 33.75 0.8 983.24 3321 -956 56 5492 34916 -3604 -7064 5575 400 -17087 -9370 -10768 2715 80 -5577 -654 -7508 2863 -5884 2962 -2225 2890 -2776 2479 2173 6347 -1621 5497 729 -3796 -4504 4887 71 9188 -14733 6985 -1997 -3076 2361 4820 -1214 4885 -1988 -451 -89 3446 1370 2635 -4864 573 2557 742 1111 -3 -270 -520 1466 -780 -2671 -568 5678 3279 657 2175 -898 -1485 4306 -4517 1120 70 1418 318 -333 1311 -122 -919 342 -767 -3056 -1138 -2073 -366 -2172 -3661 -2753 808 52 -32 1052 -1468 512 -2231 -448 -369 -1571 -590 -414 2299 -183 2636 630 -531 -3880 -124 88 -277 -995 1326 693 75 516 1098 -391 1038 1731 50 -1470 186 213 1055 284 -814 1374 296 2211 722 -1021 -669 -473 -469 995 -938 -163 -1148 -24 82 -149 -89 648 625 -613 -104 -1107 516 -167 10 850 3565 -521 -1126 871 73 -3932 -1969 -2326 564 19 -1585 -193 -2231 868 -1831 957 -699 941 -892 800 736 2138 -593 1929 246 -1304 -1626 1699 28 3384 -5866 2394 -816 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