File name: Pandora272s1_Lauder_20260128_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260128T130206.5Z 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_20260128_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: 20260128 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 20260127T183641.1Z 9523.775475 477 1 10.71 2 80.13 106.08 154.92 223.97 0.00 1 0.00 1 0 25 4.790e-01 3.253e-02 2.576e-01 1.104e-02 5.831656e-01 5.968313e-03 7.551063e-03 -6.000000e+00 2.808522e-01 231.64 -2.00 3.69 -2.00 320.60 0.00e+00 8.715634e-04 2.256440e-03 4.369627e-03 -6.000000e+00 1.270067e-02 279.20 -2.00 20.00 -2.00 320.06 0.00e+00 5.578 0.002 302.00 328.00 3 3.0583e+00 1.8261e-02 6.5276e-02 -6.0000e+00 7.0435e-01 2.3811e-01 2.2679e-02 4.2076e-02 -6.0000e+00 7.6156e-01 -4.0960e-01 1.9808e-02 1.8896e-02 -6.0000e+00 4.5110e-01 2.0081e-01 9.8727e-03 4.7192e-03 -6.0000e+00 1.9362e-01 6.8243e-05 6.3663e-04 3.1890e-04 8.1628e-05 -6.0000e+00 1.3624e-02 2.8248e-02 2.4515e-04 12 9 9 12 9 9 -102757.81 25.28 0.10 0.02825 0.03303 3 2 2 8 0 2675.300 19.99 25.28 13.68 35.00 33.75 1.1 936.41 900000 -96329 -38367 900000 900000 -65035 -110956 -143678 60934 -171550 -107945 -74349 27042 -2838 -55810 39208 -60301 165038 -52298 138206 -20055 900000 -27710 900000 12620 104789 12701 94424 89350 2492 -33415 77461 17016 198594 -62396 181780 37546 -20451 38632 76510 20935 83651 14509 18294 24617 46398 27733 34162 -12058 23418 46774 17117 19136 15047 10042 1499 10455 -338 -6163 47993 29303 12714 4637 5852 -223 -1570 29530 -7035 15790 4863 8714 5155 -1784 3517 -5110 -43 4359 -3444 -8358 -3831 -4330 3097 -3397 -4788 -4833 -1803 692 -3415 -2013 -5522 544 -4536 629 180 -5926 -2584 -1543 2590 -1757 1744 -203 -1671 -5425 62 1412 -1288 -1090 3832 -916 -670 1067 -550 -1854 3324 2654 538 -2548 1329 -1634 794 -697 106 2554 984 4339 1886 -460 877 -140 104 1801 -321 320 -657 -2 -87 -356 844 125 6 -937 -1424 -1261 900000 -2921 -675 900000 900000 -1209 -3473 -6886 656 -12752 -4329 -2327 407 -70 -2566 886 -3657 1776 -3657 1487 -1057 900000 -1610 900000 557 1917 588 1829 1730 121 -2660 2334 1062 2137 -8660 2151 2060 -2332 2951 4774 2545 5760 2076 2559 3231 4942 3581 4190 -2413 3452 5989 3260 3871 3432 2550 429 2812 -101 -1896 8417 6337 3515 1557 2166 -83 -577 8546 -2718 5759 2059 3955 2551 -946 1686 -2459 -17 1735 -1463 -3687 -1888 -2499 1896 -2449 -3714 -4018 -1432 565 -3003 -1765 -4877 460 -3758 471 136 -5182 -2293 -1560 2886 -2078 2182 -246 -1895 -5822 62 1502 -1498 -1332 4775 -1195 -963 1669 -865 -2981 5296 4026 790 -3831 1997 -2686 1250 -1127 178 4072 1540 6263 2688 -647 1226 -218 167 3110 -607 631 -1279 -5 -190 -804 1919 290 13 -2006 -2905 -2455 SS 20260127T184700.2Z 9523.782641 479 1 54.30 2 78.38 104.34 156.08 219.43 0.00 1 0.00 1 0 17 1.358e-01 7.465e-03 1.030e-02 6.574e-04 5.279411e-01 3.415464e-04 6.422202e-03 -6.000000e+00 7.945617e-02 231.64 -2.00 3.69 -2.00 319.38 0.00e+00 1.464493e-03 8.998519e-05 9.043652e-04 -6.000000e+00 3.398870e-03 279.20 -2.00 20.00 -2.00 318.76 0.00e+00 4.803 0.001 302.00 328.00 3 5.6452e-01 9.6157e-04 5.4355e-02 -6.0000e+00 1.9952e-01 4.1327e-02 1.1217e-03 2.9525e-02 -6.0000e+00 2.1557e-01 -4.6823e-02 9.0950e-04 1.4798e-02 -6.0000e+00 1.2772e-01 1.3783e-02 4.7995e-04 4.4927e-03 -6.0000e+00 5.4161e-02 1.7858e-03 -9.3416e-05 1.8309e-05 4.8962e-05 -6.0000e+00 3.7348e-03 1.8448e-02 3.8937e-05 11 8 0 10 0 0 48.82 25.28 0.31 0.01845 0.01775 478 50 2 8 0 113.590 20.00 25.28 14.16 35.00 33.75 1.2 941.03 -56846 -38263 -53468 -26294 -7329 -49365 -48567 -56967 -42335 -50104 -40155 -37516 -19142 -11500 -13052 -4458 -12519 -2383 -7521 -709 -2358 155 -3049 -1665 -4356 -275 -6248 -6298 -7467 -7005 -5125 1162 -1304 1728 -8405 -3633 -6386 -3828 236 1587 -318 1197 -340 894 557 1682 958 677 -2080 -360 1521 1493 1965 1754 1565 1062 1660 404 102 552 1718 1626 2164 3106 1652 440 658 -874 320 1105 1161 1070 524 689 -4 -719 -1238 -2008 -1845 -1351 -1418 -1108 -1737 -2125 -1217 -479 -46 428 931 714 551 -46 -397 -728 -569 -250 75 936 489 235 -180 -1050 -1856 -928 -619 -972 -700 -394 -363 241 633 683 349 272 -144 -180 -112 122 253 523 195 483 692 459 656 413 -162 87 291 108 197 -133 -265 -386 -120 -41 -69 367 236 -26 -131 -291 -680 -1086 -702 -1224 -445 -94 -956 -1015 -1465 -1067 -1487 -1122 -1128 -585 -404 -571 -211 -714 -134 -482 -45 -157 10 -215 -126 -364 -23 -580 -566 -654 -642 -530 130 -171 237 -1119 -501 -909 -623 45 360 -83 303 -92 246 155 472 274 198 -642 -114 520 567 745 724 688 488 783 194 48 256 808 770 1141 1810 958 250 387 -529 191 749 825 805 399 503 -3 -474 -752 -1201 -1180 -935 -1073 -952 -1565 -2038 -1172 -493 -47 453 994 745 566 -44 -380 -692 -549 -260 85 1142 631 307 -236 -1281 -2182 -1060 -758 -1215 -916 -525 -497 358 991 1092 563 423 -221 -271 -165 179 395 829 316 764 1105 711 965 609 -232 124 432 172 327 -228 -477 -701 -225 -82 -136 742 484 -52 -259 -550 -1282 SS 20260127T185505.8Z 9523.788262 488 1 54.39 2 76.99 102.98 156.92 215.62 0.00 1 0.00 1 0 17 7.783e-02 7.289e-03 6.214e-03 5.895e-04 4.817264e-01 3.050310e-04 5.891546e-03 -6.000000e+00 4.555455e-02 231.64 -2.00 3.69 -2.00 318.92 0.00e+00 1.194245e-03 6.962241e-05 5.989559e-04 -6.000000e+00 1.948681e-03 279.20 -2.00 20.00 -2.00 318.29 0.00e+00 4.327 0.001 302.00 328.00 3 8.5695e-01 8.4214e-04 4.9103e-02 -6.0000e+00 1.1439e-01 3.4009e-02 9.6272e-04 2.6735e-02 -6.0000e+00 1.2359e-01 -4.0068e-02 7.1298e-04 1.3190e-02 -6.0000e+00 7.3227e-02 1.3159e-02 3.7831e-04 3.8841e-03 -6.0000e+00 3.1051e-02 2.1584e-03 -1.5223e-04 1.6493e-05 4.1265e-05 -6.0000e+00 2.1413e-03 1.8866e-02 5.0963e-05 11 8 0 10 0 0 95.76 25.28 0.35 0.01887 0.01772 435 45 2 8 0 125.020 20.00 25.28 15.26 35.00 33.75 1.2 945.89 -30870 -25640 -26153 -17619 -7497 -26011 -29028 -31574 -26375 -28280 -22029 -21580 -15806 -5849 -4372 -798 -4606 1155 -3152 111 -497 -453 -2655 -612 -1339 931 -3216 -4060 -4030 -4912 -3260 637 -717 313 -7050 -3132 -6029 -2625 -233 887 -284 1422 -354 998 683 1253 744 427 -1199 -97 1667 1319 1787 1770 1423 1291 1485 332 228 617 1149 1559 2040 2585 1372 408 565 -817 353 943 1029 953 591 620 -54 -635 -1279 -2118 -1819 -1318 -1321 -1016 -1947 -2348 -1334 -598 -108 340 928 661 491 134 -459 -692 -462 -230 193 851 560 255 -86 -1030 -1724 -684 -462 -816 -687 -307 -378 282 573 686 321 261 -99 -222 -180 123 262 551 232 485 640 427 488 466 -39 187 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