File name: Pandora272s1_Lauder_20260118_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260118T130122.0Z 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_20260118_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: 20260118 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 20260117T192201.8Z 9513.806965 548 1 54.34 2 70.30 99.83 59.00 97.15 0.00 1 0.00 1 0 17 1.714e-02 6.746e-03 1.428e-03 3.600e-04 3.758288e-01 1.862215e-04 4.651965e-03 -6.000000e+00 1.004900e-02 232.09 -2.00 3.69 -2.00 317.60 0.00e+00 7.378231e-04 2.828220e-05 2.074936e-04 -6.000000e+00 4.286820e-04 278.97 -2.00 20.00 -2.00 316.94 0.00e+00 2.934 0.000 302.00 328.00 3 1.2945e+00 4.9757e-04 3.4871e-02 -6.0000e+00 2.5264e-02 2.5926e-02 5.5643e-04 2.0595e-02 -6.0000e+00 2.7287e-02 -1.6293e-02 3.4412e-04 1.0020e-02 -6.0000e+00 1.6159e-02 3.6814e-03 1.7373e-04 2.8282e-03 -6.0000e+00 6.8450e-03 5.5593e-03 -3.0030e-05 1.0200e-05 3.0732e-05 -6.0000e+00 4.7155e-04 1.8378e-02 7.2851e-05 11 8 0 10 0 0 99.89 25.32 0.30 0.01838 0.01815 740 77 2 8 0 73.420 20.00 25.32 18.37 35.00 34.00 1.0 957.31 -3168 -2606 -3568 -4505 -3666 -5831 -5329 -6005 -3709 -5064 -6262 -6151 -3252 -1369 -751 -22 -536 375 605 1702 483 370 607 768 -147 536 -590 -1577 -2055 -1424 -186 894 1187 -184 -3361 -2751 -3454 -1805 -145 310 -277 1 -240 865 234 506 205 197 -648 -28 974 891 1299 1375 1044 965 1031 535 228 421 922 1278 1814 2078 954 88 -195 -838 74 616 523 679 268 476 97 -327 -901 -1555 -1210 -1109 -1279 -1214 -1897 -2469 -1323 -710 -264 241 674 611 450 291 -162 -338 -80 17 358 866 543 151 -120 -906 -1532 -699 -571 -849 -676 -494 -393 287 544 589 385 303 -103 -113 -22 130 315 428 193 423 564 417 531 557 -34 358 478 218 258 -25 -257 -282 4 -35 -85 370 139 -109 -238 -476 -846 -244 -223 -294 -393 -285 -451 -440 -558 -344 -510 -646 -670 -399 -195 -125 -4 -100 73 125 363 107 82 138 187 -38 134 -152 -423 -521 -362 -47 249 365 -61 -1087 -864 -1109 -661 -59 139 -140 0 -125 456 124 270 110 104 -346 -15 557 523 813 871 696 661 723 378 158 289 645 907 1340 1669 760 70 -147 -628 57 516 467 612 245 437 83 -266 -701 -1218 -935 -924 -1165 -1188 -1955 -2590 -1464 -809 -305 287 811 717 511 316 -170 -343 -85 18 421 1102 707 198 -155 -1133 -1838 -823 -699 -1075 -894 -667 -543 411 811 916 594 444 -150 -158 -31 183 456 642 290 645 840 602 747 773 -47 484 665 321 394 -40 -403 -456 7 -60 -147 651 250 -193 -414 -798 -1410 SS 20260117T192627.0Z 9513.810034 551 1 21.90 2 69.53 99.10 58.25 96.44 0.00 1 0.00 1 0 25 1.786e-02 6.974e-03 1.646e-03 5.058e-04 3.633703e-01 2.619486e-04 4.515318e-03 -6.000000e+00 1.047346e-02 232.09 -2.00 3.69 -2.00 317.29 0.00e+00 7.218362e-04 3.644423e-05 1.839443e-04 -6.000000e+00 4.468247e-04 278.97 -2.00 20.00 -2.00 316.63 0.00e+00 2.831 0.000 302.00 328.00 3 1.1945e+00 6.9460e-04 3.3653e-02 -6.0000e+00 2.6331e-02 2.3824e-02 7.7531e-04 1.9876e-02 -6.0000e+00 2.8440e-02 -1.7866e-02 4.6752e-04 9.6570e-03 -6.0000e+00 1.6842e-02 5.7748e-03 2.3115e-04 2.7130e-03 -6.0000e+00 7.1339e-03 6.8790e-03 -9.5757e-05 1.4277e-05 2.9905e-05 -6.0000e+00 4.9151e-04 1.8310e-02 5.3832e-05 12 9 1 12 1 1 95.23 25.32 0.33 0.01831 0.01759 232 60 2 8 0 93.960 20.01 25.32 18.67 35.25 33.75 1.0 959.08 -3917 -2530 -3889 -5252 -4311 -6002 -6267 -6048 -4143 -5255 -6643 -5961 -3514 -1745 -520 41 -29 542 789 1564 727 826 1465 1142 477 875 -30 -674 -1050 -716 92 1362 1517 -83 -3026 -2374 -2765 -1561 -106 311 -98 214 -308 856 277 455 34 -31 -637 -104 931 903 1297 1364 1211 847 975 511 122 292 959 1409 1810 2009 982 -2 -298 -976 -38 625 500 555 243 393 136 -448 -1014 -1701 -1312 -1114 -1316 -1274 -1863 -2474 -1324 -695 -188 173 664 569 434 178 -285 -490 -185 -49 407 840 547 115 -103 -943 -1578 -713 -480 -772 -577 -428 -285 267 585 694 520 396 -34 -106 3 98 253 460 197 448 622 475 563 516 94 307 444 156 239 -3 -221 -317 -34 0 -174 300 143 -89 -172 -546 -889 -373 -266 -432 -563 -411 -566 -634 -682 -514 -705 -913 -856 -522 -300 -103 8 -6 126 194 398 191 216 393 305 136 260 -9 -197 -288 -197 27 442 507 -30 -1061 -807 -1032 -625 -47 155 -52 119 -171 478 156 257 19 -17 -356 -59 556 558 853 914 851 586 690 365 85 202 676 1060 1427 1651 804 -2 -238 -774 -30 533 458 517 229 370 120 -372 -833 -1338 -1065 -942 -1222 -1235 -1910 -2598 -1466 -798 -220 202 786 677 497 193 -298 -511 -194 -55 481 1048 724 153 -135 -1189 -1902 -843 -594 -992 -752 -573 -392 381 873 1052 779 579 -48 -145 4 136 361 683 295 663 922 681 805 705 126 406 606 226 359 -4 -345 -498 -54 -1 -295 519 253 -153 -293 -917 -1447 SS 20260117T193126.3Z 9513.813499 554 1 54.41 2 68.66 98.27 57.40 95.64 0.00 1 0.00 1 0 25 1.943e-02 7.001e-03 1.663e-03 5.131e-04 3.505447e-01 2.657807e-04 4.363016e-03 -6.000000e+00 1.139436e-02 232.09 -2.00 3.69 -2.00 317.23 0.00e+00 6.415031e-04 3.653522e-05 1.788416e-04 -6.000000e+00 4.861138e-04 278.97 -2.00 20.00 -2.00 316.57 0.00e+00 2.723 0.000 302.00 328.00 3 2.2278e+00 7.0499e-04 3.2420e-02 -6.0000e+00 2.8646e-02 3.1227e-02 7.8650e-04 1.9202e-02 -6.0000e+00 3.0941e-02 -1.5698e-02 4.7419e-04 9.3415e-03 -6.0000e+00 1.8323e-02 4.6100e-03 2.3417e-04 2.6210e-03 -6.0000e+00 7.7611e-03 2.7393e-03 -9.9962e-05 1.4546e-05 2.9040e-05 -6.0000e+00 5.3473e-04 1.8493e-02 5.9034e-05 11 8 0 10 0 0 99.94 25.32 0.31 0.01849 0.01774 241 25 4 8 0 225.750 19.99 25.32 19.13 35.25 33.75 1.0 961.20 -4452 -2367 -4335 -4178 -1574 -8022 -7232 -7788 -3717 -6740 -7444 -6509 -3050 -2373 -727 746 -562 911 283 1820 653 1025 1324 1540 536 1311 -292 -70 -1208 -1049 147 1324 1406 582 -3288 -1398 -2903 -1358 161 707 -247 238 -279 821 205 371 61 64 -1022 -44 1236 799 1124 1200 871 830 873 336 106 503 1057 1304 1671 2065 815 -143 -49 -1005 54 600 548 585 160 370 110 -427 -840 -1596 -1384 -1146 -1294 -1177 -1873 -2544 -1412 -652 -238 187 660 530 384 116 -218 -341 -166 -48 303 777 559 185 -111 -921 -1593 -545 -412 -841 -691 -328 -307 248 563 610 414 388 -57 -40 -18 237 277 528 138 408 661 455 571 567 26 400 373 200 303 -44 -205 -324 -70 -19 -161 315 183 -100 -281 -522 -872 -430 -249 -485 -443 -146 -770 -736 -890 -456 -912 -1022 -928 -483 -401 -141 161 -131 222 68 446 165 258 342 424 157 399 -92 -21 -341 -297 45 437 474 208 -1161 -472 -1087 -541 71 347 -136 130 -159 473 119 216 35 37 -588 -25 750 500 748 808 616 602 617 239 78 364 779 977 1305 1744 683 -120 -39 -781 43 518 505 545 152 351 98 -359 -672 -1279 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