File name: Pandora272s1_Lauder_20260205_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260205T130157.9Z 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_20260205_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: 20260205 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 20260204T190513.4Z 9531.795295 514 1 49.30 2 76.98 99.78 70.79 294.75 0.00 1 0.00 1 0 17 1.684e-01 1.048e-02 2.258e-02 1.665e-03 4.917013e-01 8.668904e-04 5.967246e-03 -6.000000e+00 9.854732e-02 231.27 -2.00 3.69 -2.00 319.45 0.00e+00 2.487240e-04 2.342174e-04 7.173298e-04 -6.000000e+00 4.292553e-03 279.39 -2.00 20.00 -2.00 318.83 0.00e+00 4.326 0.001 302.00 328.00 3 2.6825e+00 2.4476e-03 4.9453e-02 -6.0000e+00 2.4708e-01 1.3100e-02 2.8661e-03 2.7477e-02 -6.0000e+00 2.6705e-01 -2.7753e-02 2.3060e-03 1.3587e-02 -6.0000e+00 1.5819e-01 1.0452e-02 1.2112e-03 3.8715e-03 -6.0000e+00 6.7179e-02 3.4664e-04 2.4699e-04 4.7221e-05 4.2480e-05 -6.0000e+00 4.6807e-03 1.9222e-02 7.2797e-05 12 9 9 12 1 1 99.91 25.33 0.40 0.01922 0.02108 67 8 4 8 0 724.860 20.00 25.33 16.58 35.00 33.75 1.1 950.33 -55948 -48426 -48533 6241 900000 -45726 -55182 -91501 -52661 -76356 -53453 -43123 -15743 -11532 -13178 13148 -27845 6077 -21026 -3466 -5359 7642 -8903 3389 1786 12720 -9461 -756 -6713 -3769 -9588 6461 -1417 11423 -18420 11313 -4591 -3593 2455 5736 -1690 7433 -1438 27 267 5227 2692 3262 -5538 1619 5221 2978 1728 911 1928 1079 1823 -545 -958 2825 3896 1897 1891 2619 473 -106 2487 -1783 1505 483 1038 1311 -227 951 -117 -563 118 -1617 -2027 -1162 -1752 -939 -2433 -2787 -1707 -922 -42 -49 1166 85 408 -498 -338 -422 -648 -336 -373 1242 259 1131 -159 -1061 -2264 -273 153 -916 -841 209 -691 152 610 272 183 638 339 -71 -489 242 139 437 31 206 666 273 957 724 -395 151 491 203 553 -21 -206 -424 -90 -123 -135 216 183 96 -224 -428 -651 -1180 -1085 -1158 83 900000 -928 -1343 -3639 -1615 -3235 -1865 -1484 -496 -425 -597 533 -1876 317 -1543 -225 -365 460 -665 244 141 952 -906 -64 -574 -325 -996 652 -175 1333 -2783 1254 -659 -600 470 1165 -417 1789 -397 8 75 1412 752 914 -1731 491 1668 1075 628 361 804 471 815 -251 -434 1214 1700 913 1014 1427 275 -60 1315 -990 863 320 709 944 -167 664 -82 -360 69 -930 -1246 -817 -1330 -802 -2165 -2635 -1709 -924 -44 -53 1267 91 406 -494 -315 -387 -637 -349 -415 1549 338 1477 -200 -1318 -2605 -322 182 -1175 -1068 280 -946 225 933 441 297 992 522 -103 -705 358 219 691 50 326 1025 429 1422 1035 -579 219 728 317 933 -36 -371 -759 -172 -237 -270 440 379 194 -431 -826 -1211 SS 20260204T191047.3Z 9531.799158 517 1 54.35 2 76.02 98.84 71.65 293.64 0.00 1 0.00 1 0 25 7.183e-02 7.325e-03 6.976e-03 7.052e-04 4.618204e-01 3.640901e-04 5.664992e-03 -6.000000e+00 4.198648e-02 231.27 -2.00 3.69 -2.00 318.85 0.00e+00 1.000800e-03 8.096218e-05 5.440737e-04 -6.000000e+00 1.799703e-03 279.39 -2.00 20.00 -2.00 318.20 0.00e+00 4.045 0.001 302.00 328.00 3 1.4687e+00 1.0025e-03 4.6257e-02 -6.0000e+00 1.0533e-01 1.9021e-02 1.1463e-03 2.5570e-02 -6.0000e+00 1.1383e-01 -3.1835e-02 8.3739e-04 1.2577e-02 -6.0000e+00 6.7471e-02 1.0983e-02 4.4296e-04 3.6473e-03 -6.0000e+00 2.8638e-02 1.5502e-03 -8.4567e-05 1.9887e-05 3.8968e-05 -6.0000e+00 1.9759e-03 1.8946e-02 6.3520e-05 11 8 0 10 0 0 99.64 25.33 0.34 0.01895 0.01831 352 37 4 8 0 154.380 20.00 25.33 17.20 35.25 34.00 1.1 953.30 -29836 -23195 -23587 -13328 6148 -23951 -22482 -32200 -21572 -29457 -23139 -16850 -12077 -6301 -4772 3 -6602 1275 -4191 1251 -1646 951 -1253 -1451 -773 1015 -2754 -3912 -5060 -2842 -2530 685 -904 1919 -7729 -1826 -6387 -3208 -460 581 -253 1396 -378 916 566 1691 861 1048 -1593 475 1845 1442 1355 1624 1485 793 1340 422 96 695 1560 1433 2004 2473 1172 360 294 -831 336 931 1002 832 456 777 10 -683 -948 -1847 -1589 -1141 -1325 -1177 -1888 -2341 -1312 -624 -237 338 735 629 550 -21 -434 -526 -455 -230 229 898 542 286 -154 -1016 -1833 -608 -606 -970 -731 -306 -377 191 666 522 347 320 -31 -161 -90 174 174 432 74 405 689 408 709 510 -62 422 361 134 233 -28 -279 -360 -26 2 -143 338 245 -26 -128 -449 -793 -882 -732 -793 -390 134 -697 -697 -1240 -844 -1351 -1025 -759 -620 -370 -332 0 -596 115 -427 127 -177 100 -140 -176 -91 123 -356 -491 -674 -382 -347 103 -156 344 -1465 -321 -1292 -734 -114 171 -84 488 -130 319 199 597 308 376 -597 181 751 649 612 789 764 425 736 235 53 373 853 790 1220 1655 776 230 193 -551 219 687 777 684 379 620 8 -493 -625 -1268 -1079 -885 -1117 -1059 -1779 -2343 -1320 -671 -255 375 825 688 590 -21 -429 -509 -468 -252 270 1141 724 386 -199 -1283 -2138 -722 -740 -1213 -955 -406 -534 281 1020 813 540 496 -47 -230 -132 251 267 675 119 639 1057 630 1039 749 -88 590 522 205 371 -47 -477 -640 -47 4 -276 644 475 -50 -240 -836 -1426 SS 20260204T191533.2Z 9531.802467 519 1 35.70 2 75.18 98.02 72.39 292.70 0.00 1 0.00 1 0 25 4.464e-02 7.158e-03 3.854e-03 5.506e-04 4.396616e-01 2.833345e-04 5.409506e-03 -6.000000e+00 2.609398e-02 231.27 -2.00 3.69 -2.00 318.44 0.00e+00 1.162475e-03 5.522164e-05 4.057911e-04 -6.000000e+00 1.118377e-03 279.39 -2.00 20.00 -2.00 317.78 0.00e+00 3.833 0.001 302.00 328.00 3 8.2532e-01 7.7006e-04 4.3833e-02 -6.0000e+00 6.5461e-02 1.5712e-02 8.7130e-04 2.4192e-02 -6.0000e+00 7.0742e-02 -2.6725e-02 5.9584e-04 1.1887e-02 -6.0000e+00 4.1931e-02 9.4172e-03 3.1283e-04 3.4946e-03 -6.0000e+00 1.7799e-02 3.6701e-03 -7.0979e-05 1.5457e-05 3.6954e-05 -6.0000e+00 1.2279e-03 1.8570e-02 7.4182e-05 12 9 1 12 1 1 99.38 25.33 0.33 0.01857 0.01804 355 56 2 8 0 100.250 20.00 25.33 17.70 35.00 33.75 1.1 955.42 -14854 -10670 -14333 -11654 -8111 -17700 -15594 -19068 -13437 -15589 -14875 -12340 -7272 -3614 -1634 91 -2814 845 -957 1759 559 979 -339 -102 -496 155 -2234 -3051 -4103 -2308 -1619 236 321 271 -4536 -2959 -4435 -2238 -338 629 -77 705 -82 1092 556 1098 569 461 -735 284 1268 1229 1543 1717 1337 968 1153 697 317 531 964 1120 2063 2467 1265 187 89 -1003 3 886 807 792 399 462 87 -618 -1095 -1946 -1559 -1216 -1494 -1170 -2003 -2398 -1275 -682 -155 369 815 717 525 145 -385 -512 -299 -103 299 869 538 177 -210 -1077 -1591 -750 -620 -878 -725 -413 -360 272 630 671 374 324 -108 -162 12 138 247 476 152 396 677 469 591 522 1 235 413 153 240 -104 -269 -324 -54 -7 -118 390 202 -82 -174 -424 -825 -582 -456 -673 -512 -312 -735 -683 -972 -729 -934 -907 -789 -525 -304 -161 9 -322 100 -124 232 77 134 -49 -16 -82 27 -407 -537 -694 -394 -307 45 69 63 -1051 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