File name: Pandora272s1_Lauder_20251224_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20251224T124841.1Z 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_20251224_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: 20251224 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 20251223T185714.0Z 9488.789745 566 1 11.34 2 70.84 104.33 102.88 132.79 0.00 1 0.00 1 0 25 1.290e-01 1.684e-02 5.613e-02 6.875e-03 4.053622e-01 3.550442e-03 4.998967e-03 -6.000000e+00 7.560452e-02 231.95 -2.00 3.69 -2.00 318.67 0.00e+00 -2.893018e-04 7.340707e-04 5.366208e-04 -6.000000e+00 3.211891e-03 277.89 -2.00 20.00 -2.00 318.05 0.00e+00 3.012 0.000 302.00 328.00 3 4.7611e+00 9.6989e-03 3.6550e-02 -6.0000e+00 1.9008e-01 6.9826e-02 1.1013e-02 2.2494e-02 -6.0000e+00 2.0534e-01 -6.6552e-02 7.5681e-03 1.0968e-02 -6.0000e+00 1.2153e-01 3.6068e-02 3.9470e-03 3.0571e-03 -6.0000e+00 5.1474e-02 1.5367e-04 5.2184e-04 1.9809e-04 3.2717e-05 -6.0000e+00 3.5483e-03 1.3231e-02 -2.9892e-05 12 9 9 12 1 1 999.00 25.34 -0.06 0.01323 0.01715 2 1 1 8 0 3779.720 20.00 25.34 18.48 35.00 34.00 0.9 955.82 -8322 -26568 -11855 -2114 80426 -34528 -31173 -64025 -23627 -28141 -48131 -34890 8779 -6028 -21559 7703 -23278 22979 -20899 16772 -1172 2185 -10474 2975 138 11304 -4287 16866 951 -6531 705 -1368 -2028 10311 -11451 12810 -143 -6653 7125 5975 -1295 5927 -725 1781 3223 9215 4365 4241 -3757 1723 7506 1074 3432 2095 1330 1234 1596 -1438 -4038 5891 4773 3609 1221 2324 -1294 -454 3157 -4603 1286 148 1940 1010 -2132 2228 -1117 -1831 -399 -1042 -1230 -1944 -3419 -1314 -2316 -3735 -3340 704 -1316 -381 413 -1771 -878 -671 1213 37 -57 -1368 -391 1997 -495 3235 -401 -264 -3153 -1385 723 95 -539 1081 290 -127 678 626 -133 2101 127 -822 -1003 1091 -332 879 235 -420 354 1062 1315 301 -212 413 89 -646 1206 219 824 -1573 -1 -618 439 97 81 -81 5 -349 -1295 -329 -1407 -564 -86 1294 -1713 -1609 -5151 -1426 -1906 -4034 -2714 512 -481 -2356 713 -3153 2080 -3097 1777 -152 272 -1538 411 21 1599 -719 2171 135 -1007 111 -244 -404 1915 -2510 2156 -30 -1731 1949 1792 -466 2095 -285 693 1233 3336 1650 1592 -1532 680 3001 499 1667 1105 681 650 860 -800 -2254 3199 2679 2014 767 1577 -937 -309 1966 -3068 851 112 1485 823 -1803 1738 -908 -1350 -263 -662 -818 -1478 -2782 -1177 -2285 -3654 -3474 756 -1519 -451 492 -2096 -958 -673 1196 35 -58 -1459 -465 2441 -675 4272 -521 -317 -3842 -1639 903 119 -709 1479 424 -189 1077 1040 -221 3245 187 -1211 -1451 1594 -490 1363 376 -667 545 1566 1956 432 -292 557 129 -962 1890 366 1411 -2683 -2 -1172 803 181 153 -150 9 -630 -2272 SS 20251223T194757.8Z 9488.824975 607 1 54.28 2 62.03 96.03 96.19 123.18 0.00 1 0.00 1 0 17 1.105e-02 6.896e-03 2.215e-04 1.109e-04 2.891764e-01 5.758961e-05 3.635138e-03 -6.000000e+00 6.475533e-03 231.95 -2.00 3.69 -2.00 316.19 0.00e+00 5.652440e-04 6.109774e-06 7.331866e-05 -6.000000e+00 2.750501e-04 277.90 -2.00 20.00 -2.00 315.58 0.00e+00 2.122 0.000 302.00 328.00 3 -1.4414e-01 1.5054e-04 2.5781e-02 -6.0000e+00 1.6280e-02 1.6949e-02 1.6707e-04 1.5779e-02 -6.0000e+00 1.7587e-02 -5.8476e-03 9.6539e-05 7.6727e-03 -6.0000e+00 1.0409e-02 2.1179e-04 4.4784e-05 2.1461e-03 -6.0000e+00 4.4089e-03 5.6313e-02 -1.9624e-04 3.1359e-06 2.5601e-05 -6.0000e+00 3.0386e-04 1.4084e-02 2.9452e-05 11 8 0 10 0 0 21.70 25.32 0.33 0.01408 0.01261 3608 374 4 8 0 15.040 19.99 25.32 18.65 35.25 34.00 1.0 958.41 -913 -708 -1084 -3140 -4213 -3762 -2747 -1453 -729 -1731 -3225 -2644 -1429 -543 775 645 481 720 1070 1367 1299 880 1549 1112 762 963 425 -478 -738 124 825 1155 1722 -61 -2509 -2374 -2364 -1495 -358 5 -506 -432 -319 708 -89 64 -161 -339 -711 -319 645 753 1012 1263 823 745 883 438 258 198 688 1057 1604 1903 902 -124 -397 -923 -160 606 508 590 298 427 93 -273 -726 -1465 -1189 -1008 -1205 -1196 -1815 -2483 -1278 -751 -291 214 590 577 417 254 -199 -295 -24 62 407 921 639 189 -48 -864 -1458 -676 -515 -793 -582 -457 -308 309 594 685 455 325 -77 -98 -16 62 233 464 134 380 518 470 515 582 115 419 502 260 261 -3 -225 -272 -39 -35 -136 316 113 -153 -241 -489 -889 -177 -140 -223 -671 -810 -692 -530 -307 -158 -404 -762 -638 -359 -156 236 219 163 254 393 520 476 322 576 440 318 395 177 -201 -289 48 335 479 771 -28 -1162 -1063 -1092 -750 -202 3 -331 -285 -217 486 -61 44 -110 -227 -470 -211 444 536 734 968 638 589 712 355 206 156 553 873 1387 1713 835 -109 -335 -784 -135 553 485 578 297 423 90 -246 -631 -1203 -992 -906 -1151 -1200 -1930 -2711 -1430 -877 -348 258 721 688 488 279 -214 -308 -25 69 477 1143 821 245 -61 -1051 -1736 -791 -634 -997 -763 -615 -425 430 860 1003 669 462 -107 -128 -20 81 316 657 193 546 729 653 693 781 147 536 658 359 365 -4 -331 -402 -60 -55 -219 507 185 -247 -383 -768 -1384 SS 20251223T195342.6Z 9488.828966 610 1 54.26 2 61.02 95.07 95.38 122.14 0.00 1 0.00 1 0 17 1.051e-02 6.869e-03 2.120e-04 1.101e-04 2.809707e-01 5.721673e-05 3.527532e-03 -6.000000e+00 6.159615e-03 231.95 -2.00 3.69 -2.00 316.08 0.00e+00 5.401823e-04 5.933706e-06 6.542171e-05 -6.000000e+00 2.615586e-04 277.90 -2.00 20.00 -2.00 315.48 0.00e+00 2.055 0.000 302.00 328.00 3 -8.6549e-02 1.4930e-04 2.4993e-02 -6.0000e+00 1.5487e-02 1.6993e-02 1.6569e-04 1.5320e-02 -6.0000e+00 1.6728e-02 -4.9481e-03 9.5615e-05 7.4432e-03 -6.0000e+00 9.9008e-03 -2.8289e-04 4.4067e-05 2.0819e-03 -6.0000e+00 4.1945e-03 5.7298e-02 9.3382e-05 3.1205e-06 2.5191e-05 -6.0000e+00 2.8894e-04 1.3899e-02 9.2426e-05 11 8 0 10 0 0 99.51 25.32 0.32 0.01390 0.01460 3762 390 4 8 0 14.420 20.01 25.32 19.27 35.25 33.75 1.1 963.94 -726 -611 -915 -2963 -3841 -3396 -2456 -1140 -559 -1495 -2834 -2426 -1400 -541 724 634 358 711 976 1427 1306 828 1507 1051 748 979 317 -382 -628 252 839 1169 1611 -42 -2424 -2408 -2393 -1557 -404 -112 -513 -467 -341 678 -135 49 -166 -333 -674 -352 637 718 1008 1208 832 776 863 493 283 219 663 1036 1588 1870 860 -90 -375 -925 -172 595 504 578 308 453 162 -233 -739 -1401 -1158 -961 -1186 -1224 -1840 -2511 -1287 -754 -303 214 618 588 412 264 -224 -305 0 68 387 921 635 173 -54 -852 -1460 -693 -514 -779 -586 -458 -330 304 606 642 437 319 -79 -131 -16 74 245 465 131 374 505 430 492 566 125 419 532 271 275 15 -221 -277 -4 -27 -141 319 109 -138 -255 -506 -892 -150 -129 -200 -626 -784 -662 -502 -255 -128 -369 -706 -617 -370 -163 231 212 127 261 373 533 498 315 583 432 306 416 137 -158 -255 100 351 497 741 -20 -1149 -1104 -1130 -798 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