File name: Pandora272s1_Lauder_20260103_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260103T125249.8Z 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_20260103_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: 20260103 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 20260102T230510.1Z 9498.961923 802 1 53.26 2 30.18 51.02 157.82 226.74 0.00 1 0.00 1 0 17 1.026e-02 8.257e-03 1.583e-03 1.189e-03 1.544649e-01 6.269156e-04 1.954444e-03 -6.000000e+00 6.014620e-03 232.04 -2.00 3.69 -2.00 314.41 0.00e+00 8.633634e-06 4.671218e-05 4.847616e-05 -6.000000e+00 2.559396e-04 278.35 -2.00 20.00 -2.00 313.93 0.00e+00 1.156 0.000 302.00 328.00 3 5.5612e+00 1.6163e-03 1.3929e-02 -6.0000e+00 1.5123e-02 5.3852e-02 1.7803e-03 8.3921e-03 -6.0000e+00 1.6335e-02 -8.8585e-03 1.0178e-03 4.0818e-03 -6.0000e+00 9.6701e-03 1.6722e-03 4.4233e-04 1.1306e-03 -6.0000e+00 4.0956e-03 5.8695e-04 -8.5162e-05 3.3633e-05 1.5552e-05 -6.0000e+00 2.8224e-04 1.4977e-02 -7.9668e-06 11 9 0 11 8 0 88.97 25.40 0.21 0.01498 0.01434 22 2 1 8 0 2420.410 19.99 25.40 22.84 35.25 33.75 0.9 976.41 1428 71 126 -207 512 -2070 -1068 -2513 1961 -1895 -2886 -1908 -80 -101 -12 634 -1415 1321 -628 1212 661 835 366 963 275 1144 -247 985 125 -433 267 1274 1232 1348 -4060 -1173 -2196 -2153 -220 340 -513 327 -218 428 -587 394 -245 -569 -1654 -63 734 466 703 1017 485 437 823 217 -438 1109 1365 1541 1271 1815 98 -463 696 -2025 382 901 614 750 131 587 99 -389 -555 -1541 -1506 -1174 -1968 -700 -1839 -2850 -1476 -66 -114 111 467 170 354 83 -105 -644 -644 -54 -37 1344 708 1204 98 -801 -1951 -130 130 -886 -417 7 -264 42 619 357 390 686 187 -128 -590 90 -61 569 157 75 577 576 988 514 -340 265 305 120 389 -94 -22 -392 -60 -53 -128 358 170 -46 -182 -552 -987 582 29 52 -85 183 -720 -385 -1006 827 -802 -1201 -779 -34 -48 -6 331 -770 709 -353 684 380 472 210 573 170 722 -158 582 68 -243 152 694 709 794 -2352 -683 -1294 -1445 -160 269 -420 275 -189 371 -509 335 -205 -485 -1367 -50 597 401 592 892 440 400 760 202 -402 994 1247 1488 1245 1867 102 -445 638 -1809 340 887 633 813 137 629 100 -380 -516 -1333 -1295 -1099 -1943 -708 -2014 -3112 -1692 -76 -139 140 599 213 411 92 -112 -642 -649 -58 -42 1641 886 1493 116 -946 -2179 -143 154 -1081 -528 9 -345 57 837 492 545 890 234 -156 -697 108 -75 745 207 99 747 757 1219 636 -401 301 358 149 477 -120 -28 -515 -83 -73 -184 524 242 -65 -262 -775 -1354 SS 20260102T231905.2Z 9498.971588 810 1 6.92 2 28.35 45.64 159.40 220.09 0.00 1 0.00 1 0 17 1.266e-02 9.950e-03 6.434e-03 4.851e-03 1.503419e-01 2.565087e-03 1.935071e-03 -6.000000e+00 7.423475e-03 232.04 -2.00 3.69 -2.00 314.39 0.00e+00 4.528634e-04 1.901115e-04 2.588909e-05 -6.000000e+00 3.159034e-04 278.35 -2.00 20.00 -2.00 313.91 0.00e+00 1.136 0.000 302.00 328.00 3 5.6599e+00 6.6093e-03 1.3688e-02 -6.0000e+00 1.8665e-02 5.0229e-02 7.2723e-03 8.2804e-03 -6.0000e+00 2.0162e-02 -6.2767e-03 4.1634e-03 4.0213e-03 -6.0000e+00 1.1935e-02 -1.0688e-04 1.8093e-03 1.1315e-03 -6.0000e+00 5.0549e-03 5.4614e-04 -2.1594e-04 1.3750e-04 1.5360e-05 -6.0000e+00 3.4836e-04 1.4818e-02 -2.0824e-05 12 9 9 12 1 1 999.00 25.41 0.24 0.01482 0.01320 1 2 1 8 0 3456.270 20.00 25.41 23.95 35.25 33.75 0.8 979.64 2092 -763 1269 -898 2774 -2524 -1635 -2537 2232 -666 -4284 -219 1324 -852 -281 1122 -1102 458 -3173 433 1718 1237 -421 118 947 968 692 1797 -181 815 57 2641 2200 508 -4814 -813 -2055 -2096 -1006 128 -642 -702 -832 109 -573 272 -576 -434 -431 -184 1127 64 571 1416 169 801 565 386 -1296 1436 1855 1542 1297 1913 814 -663 1148 -3289 1035 629 367 931 547 1483 -1089 -229 -1147 -1262 -494 -2062 -1582 -904 -2101 -2521 -602 -12 427 420 828 -183 415 -660 -64 -1722 -242 -323 426 1469 963 576 4 -619 -1981 -896 -172 -1138 -158 -135 -474 289 260 1217 517 634 414 -86 -945 280 -844 379 -792 81 1373 838 841 653 -298 26 -568 865 -207 334 231 -343 383 -332 279 102 461 79 -347 -1342 -512 858 -318 522 -349 985 -894 -598 -1024 943 -279 -1813 -96 567 -412 -149 587 -603 250 -1840 248 984 702 -245 71 584 612 439 1053 -98 454 33 1535 1258 303 -2819 -473 -1211 -1407 -736 101 -526 -596 -725 95 -497 232 -482 -370 -353 -147 912 55 481 1236 154 729 522 356 -1196 1279 1683 1487 1268 1963 841 -638 1044 -2966 910 618 377 1003 599 1569 -1114 -222 -1069 -1084 -419 -1938 -1548 -911 -2295 -2728 -679 -14 516 528 1053 -229 505 -739 -68 -1726 -255 -347 473 1778 1193 714 5 -724 -2199 -986 -204 -1383 -199 -177 -616 389 367 1728 715 816 512 -104 -1110 333 -1028 494 -1043 106 1840 1091 1032 801 -349 32 -668 1057 -266 420 293 -445 518 -456 394 148 651 116 -495 -1886 -694 SS 20260102T232823.0Z 9498.978044 812 1 54.57 2 27.21 41.74 160.34 215.17 0.00 1 0.00 1 0 17 1.458e-02 1.076e-02 2.286e-03 1.661e-03 1.538984e-01 8.727327e-04 1.929743e-03 -6.000000e+00 8.549538e-03 232.04 -2.00 3.69 -2.00 314.57 0.00e+00 -1.549330e-04 6.744076e-05 8.237720e-05 -6.000000e+00 3.638841e-04 278.35 -2.00 20.00 -2.00 314.07 0.00e+00 1.124 0.000 302.00 328.00 3 6.1767e+00 2.2502e-03 1.3641e-02 -6.0000e+00 2.1496e-02 6.1043e-02 2.4821e-03 8.3004e-03 -6.0000e+00 2.3221e-02 -1.3211e-02 1.4191e-03 4.0370e-03 -6.0000e+00 1.3746e-02 4.3211e-03 6.1944e-04 1.1446e-03 -6.0000e+00 5.8212e-03 3.2720e-04 3.0717e-07 4.6711e-05 1.5487e-05 -6.0000e+00 4.0128e-04 1.5124e-02 -4.8023e-05 12 9 8 11 8 0 98.83 25.41 0.08 0.01512 0.01513 16 2 1 8 0 3409.990 19.99 25.41 23.76 35.25 33.75 0.7 977.95 3006 396 1209 868 3628 -3042 -1548 -5533 2515 -3388 -3957 -2734 735 -366 815 665 -2300 1393 -1746 1612 -384 369 -63 1654 496 1227 -996 1690 876 -771 -1034 1094 521 2103 -5116 -556 -2029 -2604 230 928 -111 1045 -559 478 -24 809 -46 27 -2555 -94 922 344 945 550 700 455 834 -259 -1153 1762 2116 1700 1062 2054 -49 -734 1475 -3134 495 691 787 1115 241 1252 -122 -612 -572 -2219 -2148 -1743 -2177 -682 -1927 -3177 -1959 161 335 252 414 -179 -3 -389 175 -1083 -515 -776 -194 1609 740 2048 -10 -859 -2403 -78 632 -761 -618 497 -309 -101 1034 696 122 988 379 -399 -900 500 -281 656 228 28 912 619 1370 404 -856 -119 -49 -61 445 -284 9 -717 -172 38 -125 410 306 141 -67 -711 -881 1137 150 457 331 1178 -1002 -526 -2145 990 -1354 -1547 -1143 293 -163 394 346 -1256 743 -984 899 -221 208 -36 971 281 709 -587 980 466 -399 -548 590 298 1211 -2944 -294 -1177 -1599 162 705 -93 894 -497 423 -21 700 -39 22 -2043 -72 717 284 808 494 644 423 784 -230 -1084 1594 1951 1555 1047 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