File name: Pandora25s1_HoustonTX_20220922_L2Fit_fout2c6d20220503p1-8.txt File generation date: 20250922T155112.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Jimmy Flynn Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 25 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora25_OF_v7d20190903.txt Instrument calibration file used: Pandora25s1_CF_v6d20220503.txt Level 1 file used: Pandora25s1_HoustonTX_20220922_L1_smca1c6d20220503p1-8.txt Full location name: University Of Houston Short location name: HoustonTX Country of location: United States Location latitude [deg]: 29.7200 Location longitude [deg]: -95.3400 Location altitude [m]: 19 Local noon date: 20220922 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: Update session 4 for SO2 First and last pixel inside fitting window: 281 423 Nominal wavelengths inside fitting window [nm]: 305.1116 305.2524 305.3931 305.5338 305.6745 305.8152 305.9558 306.0965 306.2371 306.3777 306.5183 306.6589 306.7995 306.9401 307.0806 307.2212 307.3617 307.5022 307.6427 307.7832 307.9236 308.0641 308.2045 308.3449 308.4853 308.6257 308.7661 308.9065 309.0468 309.1872 309.3275 309.4678 309.6081 309.7484 309.8886 310.0289 310.1691 310.3093 310.4495 310.5897 310.7299 310.8701 311.0102 311.1504 311.2905 311.4306 311.5707 311.7108 311.8509 311.9909 312.1310 312.2710 312.4110 312.5510 312.6910 312.8310 312.9709 313.1109 313.2508 313.3907 313.5306 313.6705 313.8104 313.9503 314.0901 314.2300 314.3698 314.5096 314.6494 314.7892 314.9290 315.0687 315.2085 315.3482 315.4879 315.6276 315.7673 315.9070 316.0466 316.1863 316.3259 316.4656 316.6052 316.7448 316.8843 317.0239 317.1635 317.3030 317.4425 317.5821 317.7216 317.8611 318.0005 318.1400 318.2794 318.4189 318.5583 318.6977 318.8371 318.9765 319.1159 319.2552 319.3946 319.5339 319.6732 319.8125 319.9518 320.0911 320.2304 320.3696 320.5089 320.6481 320.7873 320.9265 321.0657 321.2049 321.3441 321.4832 321.6223 321.7615 321.9006 322.0397 322.1788 322.3178 322.4569 322.5960 322.7350 322.8740 323.0130 323.1520 323.2910 323.4300 323.5689 323.7079 323.8468 323.9857 324.1246 324.2635 324.4024 324.5413 324.6801 324.8190 324.9578 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20220922T130608.8Z 8300.545935 152 1 49.42 2 78.63 96.37 39.79 95.20 0.00 1 0.00 1 0 25 3.407e-01 1.851e-02 1.123e-01 1.543e-03 5.680668e-01 8.072778e-04 6.326228e-03 -6.000000e+00 1.964558e-01 228.15 -2.00 3.24 -2.00 320.51 0.00e+00 7.754239e-03 3.280694e-04 1.984176e-03 -6.000000e+00 9.000661e-03 293.04 -2.00 20.00 -2.00 319.74 0.00e+00 4.897 0.001 302.00 328.00 3 1.6016e+00 2.5749e-03 5.5915e-02 -6.0000e+00 4.8706e-01 6.2390e-02 3.2517e-03 2.7809e-02 -6.0000e+00 5.2826e-01 -1.5318e-01 2.7823e-03 1.6479e-02 -6.0000e+00 3.1530e-01 6.6830e-02 1.4023e-03 7.8901e-03 -6.0000e+00 1.3453e-01 4.5807e-04 -6.7479e-04 4.3281e-05 9.7914e-05 -6.0000e+00 9.4114e-03 -3.1701e-03 6.0959e-05 12 8 8 10 0 0 75.05 24.54 0.34 -0.00317 -0.00824 165 35 1 5 0 299.430 27.05 20.01 24.54 32.49 27.4 991.20 -254821 69422 54622 61111 -26735 -35162 900000 -38439 197242 821 -13076 71658 -6302 36404 2119 135599 24826 55512 25011 45157 20761 14971 9836 15294 13821 17144 3287 10577 13503 480 32688 19825 24721 13874 11003 19500 10986 24136 7386 9201 4853 8781 6687 10607 8876 10676 7122 6979 10728 6103 9341 7507 7355 6519 5579 2830 3107 -2018 1923 106 2524 2627 3299 4069 2919 3226 2155 832 1521 1323 771 1003 -600 -512 53 -783 -3437 -2114 -1450 -1131 -1532 -1630 -2245 -1524 -1626 -1946 -836 -774 -165 14 320 -33 -526 -998 -1289 -683 -533 165 -123 -106 -274 -991 -811 -1120 -815 -1250 -852 -771 -85 71 453 437 387 226 45 44 401 71 166 155 2 478 916 755 915 1166 493 1373 826 905 508 352 26 204 -264 -82 -328 -182 -420 -428 -234 -391 -634 -18544 266 254 251 -241 -341 900000 -457 297 8 -143 392 -97 468 48 946 584 1055 691 1068 633 481 317 495 476 593 131 382 479 22 1274 1036 1400 904 701 1154 792 1815 795 1049 637 1181 967 1518 1324 1609 1138 1152 1775 1131 1859 1684 1795 1724 1444 776 865 -585 525 29 726 842 1193 1618 1206 1282 850 343 694 646 413 555 -331 -266 27 -360 -1527 -948 -730 -626 -987 -1188 -1675 -1196 -1369 -1754 -737 -702 -148 13 272 -26 -403 -793 -1149 -657 -591 195 -157 -134 -323 -1128 -858 -1216 -952 -1465 -1052 -1020 -116 108 708 712 626 351 70 66 597 112 264 258 4 763 1411 1183 1373 1679 692 1990 1277 1559 911 668 49 409 -544 -178 -729 -411 -950 -936 -505 -802 -1267 SS 20220922T131210.0Z 8300.550116 155 1 49.42 2 77.33 97.15 38.52 96.11 0.00 1 0.00 1 0 25 1.118e-01 4.678e-03 2.960e-02 1.060e-03 5.275630e-01 5.476749e-04 5.638829e-03 -6.000000e+00 6.402903e-02 228.15 -2.00 3.24 -2.00 320.07 0.00e+00 9.231120e-04 1.922712e-04 2.560733e-04 -6.000000e+00 2.971363e-03 293.04 -2.00 20.00 -2.00 319.25 0.00e+00 4.432 0.001 302.00 328.00 3 1.4473e+00 1.6571e-03 5.0798e-02 -6.0000e+00 1.5863e-01 -3.3901e-02 2.0601e-03 2.5646e-02 -6.0000e+00 1.7199e-01 8.0442e-03 1.7511e-03 1.2522e-02 -6.0000e+00 1.0309e-01 -1.0907e-02 8.9946e-04 3.8931e-03 -6.0000e+00 4.4453e-02 8.8774e-04 -3.3023e-04 3.0027e-05 4.0669e-05 -6.0000e+00 3.0602e-03 -3.6330e-03 6.3544e-05 10 0 0 10 0 0 58.81 24.55 0.33 -0.00363 -0.00611 248 53 1 5 0 199.230 27.05 20.00 24.55 32.98 27.3 993.91 900000 -9247 -38571 -14563 -53548 -25644 21758 -39981 1093 -25490 -34217 555 -28383 -5194 -14055 78366 -3267 7552 -1662 -584 -3422 -6169 -5919 -6854 -3465 -2573 -6010 -6457 -3814 -8771 4080 1260 2665 -2195 -4059 -1446 -2411 3923 -1740 -1195 -2381 204 -836 645 -18 261 -1131 -897 523 -1512 1319 662 513 1009 1120 885 564 -914 414 -355 435 -86 990 1495 760 514 566 -163 595 894 611 893 404 554 644 -200 -1457 -868 -672 -650 -686 -1095 -1392 -1062 -794 -618 189 340 578 865 946 711 476 399 247 469 31 337 198 -293 -252 -855 -558 -594 -572 -1011 -658 -661 -162 915 249 216 287 142 76 202 227 -166 -272 -389 -552 -230 108 164 303 435 211 629 492 305 262 20 -9 9 -79 -95 -87 79 -132 -84 28 -134 -176 900000 -83 -475 -136 -675 -254 153 -582 12 -390 -594 8 -652 -118 -418 1133 -111 252 -65 -24 -145 -273 -279 -355 -187 -145 -352 -366 -209 -542 259 94 221 -196 -355 -126 -238 436 -246 -196 -433 39 -166 128 -4 54 -239 -193 115 -359 335 185 155 325 377 309 202 -331 145 -125 159 -35 435 707 368 241 260 -78 308 516 380 570 257 336 365 -105 -732 -439 -372 -408 -483 -849 -1148 -914 -719 -588 186 340 575 834 865 618 401 343 230 480 35 415 255 -376 -309 -984 -613 -665 -675 -1246 -840 -883 -228 1366 394 350 462 222 114 295 333 -252 -431 -636 -904 -369 170 251 453 632 300 915 767 509 459 37 -18 18 -159 -197 -185 169 -281 -177 56 -265 -343 SS 20220922T131746.0Z 8300.554004 158 1 49.55 2 76.12 97.88 37.34 96.98 0.00 1 0.00 1 0 25 5.634e-02 4.578e-03 1.499e-02 7.944e-04 4.876432e-01 4.058605e-04 5.240407e-03 -6.000000e+00 3.225065e-02 228.15 -2.00 3.24 -2.00 319.66 0.00e+00 7.951813e-04 1.239693e-04 2.643868e-04 -6.000000e+00 1.486595e-03 293.04 -2.00 20.00 -2.00 318.80 0.00e+00 4.073 0.001 302.00 328.00 3 1.3095e+00 1.1825e-03 4.6756e-02 -6.0000e+00 7.9907e-02 -3.0502e-02 1.4268e-03 2.3683e-02 -6.0000e+00 8.6620e-02 1.8055e-03 1.1340e-03 1.1473e-02 -6.0000e+00 5.1910e-02 -6.7368e-03 5.9348e-04 3.4809e-03 -6.0000e+00 2.2241e-02 1.4934e-03 -2.5096e-04 2.2521e-05 3.5484e-05 -6.0000e+00 1.5346e-03 -3.5869e-03 5.9430e-05 10 0 0 10 0 0 58.20 24.56 0.30 -0.00359 -0.00547 337 71 1 5 0 147.000 27.05 19.99 24.56 33.45 27.3 996.84 4547 -20560 -10925 -18906 -27222 -31250 -2017 -20286 -958 -6732 -18323 -10817 -14498 -6220 -9325 13953 -4920 1242 -4492 1109 -2970 -3598 -2355 -3447 -3084 -1845 -3269 -3901 -2283 -5761 2995 -938 1883 -1385 -2080 -2008 -2321 692 -1308 -1430 -1603 304 -969 270 -238 719 -694 -385 -94 -718 438 753 610 884 960 670 782 -559 703 -127 421 402 1450 1524 929 365 149 -16 488 760 471 766 343 424 385 178 -1042 -812 -590 -652 -891 -1108 -1505 -1231 -680 -715 62 188 616 838 961 743 605 416 279 63 259 531 27 -81 -410 -699 -646 -435 -669 -956 -635 -585 -161 491 345 190 261 19 76 76 26 -131 -112 -284 -541 -270 160 207 229 464 277 870 427 466 242 151 -55 31 -5 -2 -77 123 -44 -260 -105 -275 -187 56 -330 -165 -292 -422 -513 -30 -384 -17 -134 -425 -264 -449 -219 -408 554 -258 67 -250 61 -175 -215 -148 -240 -231 -143 -257 -295 -167 -467 256 -96 211 -165 -237 -234 -307 107 -233 -300 -373 74 -248 69 -62 189 -186 -105 -26 -213 132 249 218 340 387 281 336 -242 293 -53 184 181 723 830 515 194 77 -9 287 478 324 545 241 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