File name: Pandora272s1_Lauder_20251218_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20251218T124358.2Z 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_20251218_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: 20251218 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 20251217T190948.8Z 9482.798482 723 1 53.06 2 68.19 101.78 48.20 84.28 0.00 1 0.00 1 0 17 7.334e-02 1.185e-02 1.059e-02 2.150e-03 3.332676e-01 1.103695e-03 4.126166e-03 -6.000000e+00 4.294832e-02 231.89 -2.00 3.69 -2.00 317.97 0.00e+00 -1.127679e-04 1.866606e-04 2.402627e-04 -6.000000e+00 1.824603e-03 277.63 -2.00 20.00 -2.00 317.34 0.00e+00 2.668 0.000 302.00 328.00 3 4.8783e+00 2.9612e-03 3.1396e-02 -6.0000e+00 1.0797e-01 2.8484e-02 3.3270e-03 1.8363e-02 -6.0000e+00 1.1668e-01 -2.5592e-02 2.1213e-03 8.9257e-03 -6.0000e+00 6.9051e-02 1.2867e-02 1.0813e-03 2.4773e-03 -6.0000e+00 2.9215e-02 2.1164e-04 -3.1632e-04 6.2132e-05 2.7099e-05 -6.0000e+00 2.0182e-03 1.8007e-02 -8.2117e-05 12 8 8 10 0 0 99.54 25.37 0.36 0.01801 0.01563 19 2 1 8 0 2792.080 19.99 25.37 18.91 35.00 33.75 1.0 958.44 -11252 -951 8310 19613 57328 -7754 -5187 -34667 -7285 -24881 -19730 -13087 7560 -5131 -11566 3963 -9024 6673 -7403 2686 352 4195 -2472 286 3205 3039 -105 6180 -1369 -1879 -3176 3426 -684 6366 -10467 6203 -741 -3456 -795 2136 -834 4611 156 1101 747 2748 1687 1991 -2774 1046 3618 1319 1336 -288 -1282 602 1043 -1418 -1685 3661 3743 2420 1115 1489 -845 -1422 2660 -3200 1484 144 665 516 -487 1143 -424 -579 -438 -1132 -1539 -956 -2181 124 -2122 -2862 -1661 -136 -202 -433 654 -743 16 145 142 -662 -1180 -860 -139 1927 78 1927 -133 -1354 -2641 261 838 -530 -332 319 -513 -122 776 205 259 1109 363 1 -614 60 -158 700 -413 68 585 427 1634 717 -849 117 45 -117 591 -43 124 -514 18 20 -75 130 523 -171 -105 -554 -983 -826 -70 573 1139 2044 -515 -360 -3613 -646 -2807 -2122 -1375 737 -660 -1834 603 -1658 1101 -1342 504 69 787 -466 56 643 638 -23 1325 -295 -406 -751 827 -171 1558 -2867 1545 -197 -1092 -294 910 -372 2050 75 533 362 1309 804 931 -1349 496 1775 716 771 -180 -846 399 651 -908 -1061 2339 2447 1584 808 1163 -689 -1096 1847 -2309 1068 118 563 461 -443 989 -375 -463 -317 -780 -1100 -764 -1859 115 -2192 -2921 -1788 -155 -244 -509 770 -864 18 152 148 -664 -1239 -929 -166 2382 107 2588 -173 -1657 -3229 308 1064 -681 -445 449 -722 -183 1166 321 399 1701 520 1 -857 86 -227 1064 -657 106 893 632 2400 1015 -1163 156 64 -169 900 -70 193 -828 30 35 -132 234 953 -309 -182 -977 -1682 SU 20251217T191148.6Z 9482.799868 725 1 54.21 2 67.85 101.46 47.86 83.91 0.00 1 0.00 1 0 17 4.574e-02 9.311e-03 6.202e-03 1.545e-03 3.272695e-01 7.955803e-04 4.064147e-03 -6.000000e+00 2.679756e-02 231.89 -2.00 3.69 -2.00 317.64 0.00e+00 4.831978e-04 1.222268e-04 2.222225e-04 -6.000000e+00 1.137724e-03 277.63 -2.00 20.00 -2.00 317.00 0.00e+00 2.629 0.000 302.00 328.00 3 4.3935e+00 2.1214e-03 3.0880e-02 -6.0000e+00 6.7368e-02 2.1605e-02 2.3745e-03 1.7966e-02 -6.0000e+00 7.2789e-02 -1.5530e-02 1.4802e-03 8.7602e-03 -6.0000e+00 4.3077e-02 6.8093e-03 7.4688e-04 2.4560e-03 -6.0000e+00 1.8236e-02 3.5887e-04 -7.7757e-05 4.4301e-05 2.6361e-05 -6.0000e+00 1.2583e-03 1.6212e-02 9.9710e-06 11 9 0 11 32 0 97.57 25.36 0.07 0.01621 0.01563 28 3 1 8 0 1935.990 20.01 25.36 18.95 35.25 33.75 1.0 958.70 -4056 -2251 1612 8875 31697 -7415 -5457 -23733 -4689 -17124 -14277 -11470 -2834 -3563 -5156 2502 -6694 6248 -3630 2552 -662 3718 -1729 3360 1174 1906 347 5887 398 -463 -2097 -1421 291 5305 -7240 3864 -901 -2969 -564 1175 -675 2477 -311 423 -290 1679 845 -1932 -2296 1371 1989 1905 1806 882 195 791 876 -333 -1196 -295 2243 2063 1301 2189 163 -497 -946 -1816 1579 505 746 413 -75 1292 162 -524 -259 -1129 -999 -722 -1967 -487 -1718 -2644 -1688 -335 38 110 687 -230 132 38 182 -73 -666 -284 -103 1272 219 203 182 -931 -2469 131 -653 -899 -519 404 -533 63 568 515 459 888 263 -189 -308 334 -1 438 -76 47 621 429 1273 688 -323 363 289 52 267 -37 38 -298 -95 -41 -37 209 211 -74 -187 -544 -925 -328 -198 142 687 1748 -585 -450 -2621 -478 -2110 -1716 -1396 -361 -533 -825 416 -1298 1119 -754 519 -142 760 -384 756 284 478 90 1365 91 -106 -529 -389 86 1562 -2290 1065 -284 -1012 -225 547 -328 1228 -165 226 -156 888 446 -1033 -1221 711 1086 1125 1136 553 129 531 601 -232 -824 -199 1512 1491 967 1745 136 -391 -700 -1421 1245 423 651 382 -70 1157 146 -431 -206 -856 -778 -588 -1725 -471 -1716 -2800 -1888 -376 45 135 849 -280 149 41 184 -75 -673 -316 -121 1565 296 275 235 -1188 -2960 152 -824 -1150 -691 563 -750 93 860 809 711 1297 376 -265 -423 470 -1 666 -114 70 948 635 1767 964 -436 477 402 74 406 -56 59 -481 -155 -71 -64 364 374 -129 -328 -923 -1522 SS 20251217T193131.8Z 9482.813562 728 1 54.10 2 64.42 98.23 44.46 80.11 0.00 1 0.00 1 0 17 1.606e-02 7.373e-03 2.475e-03 9.476e-04 2.893003e-01 4.896633e-04 3.618435e-03 -6.000000e+00 9.412365e-03 231.89 -2.00 3.69 -2.00 316.80 0.00e+00 5.551775e-04 6.056273e-05 1.074497e-04 -6.000000e+00 3.995285e-04 277.63 -2.00 20.00 -2.00 316.18 0.00e+00 2.302 0.000 302.00 328.00 3 3.8826e+00 1.2907e-03 2.7110e-02 -6.0000e+00 2.3663e-02 1.7653e-02 1.4371e-03 1.5834e-02 -6.0000e+00 2.5565e-02 -9.4383e-03 8.4749e-04 7.6960e-03 -6.0000e+00 1.5130e-02 2.2932e-03 4.0796e-04 2.1578e-03 -6.0000e+00 6.4060e-03 8.5729e-04 -8.1252e-06 2.7078e-05 2.4243e-05 -6.0000e+00 4.4187e-04 1.5981e-02 4.5049e-05 11 8 0 10 0 0 99.63 25.36 0.23 0.01598 0.01592 63 7 1 8 0 858.610 19.99 25.36 19.46 35.25 34.00 1.0 961.12 -2228 -758 -989 1384 -5857 -4322 -3069 -8317 -2082 -6055 -5094 -3466 1504 -1074 -2079 947 -2353 1972 273 1464 270 1484 632 1787 897 1065 433 1313 -653 -516 -117 1245 1695 1646 -4936 -141 -2507 -2024 -554 352 -439 353 -526 419 -305 667 275 -783 -1352 43 1254 1013 1128 699 385 619 810 70 -179 1069 1378 1699 1453 1855 437 -154 472 -1248 389 638 493 512 133 546 -44 -430 -609 -1668 -1279 -850 -1445 -963 -1837 -2551 -1311 -561 -283 -15 642 258 207 207 -272 -403 -414 -62 162 1158 559 679 60 -900 -1799 -333 -150 -669 -608 -296 -522 241 663 645 319 625 -98 -120 -323 20 127 363 31 314 631 345 867 517 33 409 442 146 264 70 -212 -359 -36 -16 -109 301 333 -167 -129 -579 -961 -291 -108 -145 187 -760 -532 -396 -1254 -328 -1056 -878 -605 282 -238 -490 241 -654 548 81 444 84 456 201 594 292 359 149 459 -216 -169 -41 426 627 638 -1929 -51 -1010 -868 -280 195 -253 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