File name: Pandora25s1_HoustonTX_20241004_L2Fit_fout2c6d20220503p1-8.txt File generation date: 20241005T061508.0Z 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 v1.8.60 Instrument operation file used: Pandora25_OF_v7d20190903.txt Instrument calibration file used: Pandora25s1_CF_v6d20220503.txt Level 1 file used: Pandora25s1_HoustonTX_20241004_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: 20241004 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 20241004T131230.6Z 9043.550354 57 1 49.61 2 78.87 102.00 98.96 101.36 0.00 1 0.00 1 0 25 3.075e-01 1.099e-02 1.113e-01 2.271e-03 5.859885e-01 1.194420e-03 6.295702e-03 -6.000000e+00 1.767201e-01 227.48 -2.00 3.24 -2.00 320.48 0.00e+00 2.561413e-03 4.761269e-04 5.783066e-04 -6.000000e+00 8.086971e-03 292.08 -2.00 20.00 -2.00 319.73 0.00e+00 4.995 0.001 302.00 328.00 3 2.2007e+00 3.7640e-03 5.7008e-02 -6.0000e+00 4.3742e-01 6.0726e-02 4.8187e-03 2.8430e-02 -6.0000e+00 4.7330e-01 -8.4507e-02 4.2501e-03 1.4706e-02 -6.0000e+00 2.8366e-01 3.2039e-02 2.1357e-03 5.2360e-03 -6.0000e+00 1.2259e-01 2.2076e-04 -5.3742e-04 6.3226e-05 5.7224e-05 -6.0000e+00 8.3507e-03 -4.9439e-02 2.1103e-04 12 8 8 10 0 0 81.89 24.00 0.25 -0.04944 -0.05348 76 16 1 5 0 652.670 26.62 20.00 24.00 30.23 33.1 1094.39 -228693 43211 -109734 42520 -109210 -79447 -8357 -100850 104617 -82282 -66092 -12137 -55614 -37716 -32108 213 6567 19148 7347 9605 15780 -7227 -7949 -15235 -14582 13302 -16306 -16134 -17786 -10790 14452 6597 3893 -911 -11993 13242 5578 28918 5874 2216 774 5303 1997 1192 7858 3490 -248 452 8865 1722 6413 2344 1265 4179 3091 2350 3374 -1144 16 816 742 1092 1285 2789 2168 845 1231 791 579 1719 2269 1345 602 -748 1762 613 -1621 -2071 51 11 -708 -1355 -1919 -1048 -1829 -1626 -814 -337 -398 1176 585 921 112 -165 -648 -25 -333 -9 342 -401 49 -1283 -492 -1227 -123 -758 -1004 -824 -251 -323 490 343 201 581 -33 369 -91 207 -138 -9 -393 189 357 433 502 812 470 921 619 406 472 -83 -154 497 -267 116 -258 31 29 -423 -154 -229 -496 -9357 164 -1898 173 -1711 -924 -54 -1735 292 -1458 -1052 -129 -1085 -780 -777 5 147 420 193 262 419 -238 -274 -606 -622 465 -765 -739 -810 -486 595 342 237 -62 -884 762 374 1829 554 256 102 720 294 182 1144 539 -40 75 1414 309 1206 507 301 1045 826 657 962 -342 5 232 216 343 450 1068 880 341 483 317 250 829 1197 749 338 -409 882 283 -711 -905 23 6 -432 -930 -1434 -818 -1515 -1423 -739 -314 -373 1066 506 751 89 -131 -554 -24 -353 -11 428 -513 60 -1485 -529 -1314 -137 -894 -1234 -1060 -341 -473 765 561 331 934 -52 551 -136 316 -219 -15 -657 311 571 676 763 1197 677 1330 957 683 846 -156 -299 994 -561 253 -573 71 65 -946 -333 -478 -1007 SS 20241004T131825.3Z 9043.554459 60 1 49.54 2 77.62 102.79 97.75 102.05 0.00 1 0.00 1 0 25 1.034e-01 4.924e-03 2.844e-02 1.164e-03 5.346390e-01 6.063878e-04 5.792800e-03 -6.000000e+00 5.941710e-02 227.48 -2.00 3.24 -2.00 319.97 0.00e+00 1.411945e-03 2.045635e-04 4.841501e-04 -6.000000e+00 2.732209e-03 292.07 -2.00 20.00 -2.00 319.17 0.00e+00 4.528 0.001 302.00 328.00 3 1.5247e+00 1.8065e-03 5.1895e-02 -6.0000e+00 1.4706e-01 6.2728e-03 2.2289e-03 2.6413e-02 -6.0000e+00 1.5918e-01 1.7368e-04 1.8957e-03 1.2847e-02 -6.0000e+00 9.5381e-02 -8.0341e-03 9.8176e-04 4.4453e-03 -6.0000e+00 4.1470e-02 7.1947e-04 -5.2067e-04 3.2775e-05 4.3624e-05 -6.0000e+00 2.8276e-03 -5.0068e-02 1.5449e-04 10 0 0 10 0 0 78.07 24.01 0.22 -0.05007 -0.05398 186 39 1 5 0 266.300 26.62 19.99 24.01 30.30 33.0 1094.50 900000 -18330 -51153 -7417 -40077 -35225 -10670 -49025 -1129 -39211 -38051 -16600 -33877 -14682 -17613 23758 -4269 -2122 -5462 -1708 -5145 -8768 -6774 -7310 -7417 -2500 -2494 -6333 -6471 -5383 348 1871 2669 -1306 -5174 -2076 -3109 4335 -711 -1233 -1951 -473 -532 -730 1286 221 -1324 -1040 1121 -399 1089 533 556 1361 1101 582 1093 -263 47 116 722 275 1183 1757 1004 828 507 -213 356 756 743 539 195 -63 683 401 -800 -1030 -359 -484 -687 -976 -1356 -1363 -1035 -726 -275 -65 386 1029 870 1303 1079 681 454 312 120 373 200 -142 -79 -794 -610 -474 -543 -968 -773 -890 -248 27 45 238 100 158 102 291 209 147 -267 -110 -590 -105 -91 76 274 436 340 899 564 503 340 42 60 297 -103 -22 -175 52 -167 -254 -97 -154 -161 900000 -189 -726 -73 -500 -411 -106 -751 -13 -682 -684 -265 -788 -354 -541 573 -153 -81 -217 -69 -224 -399 -316 -375 -414 -142 -145 -371 -368 -317 22 138 225 -124 -493 -189 -313 480 -94 -198 -359 -92 -109 -155 270 48 -296 -236 257 -91 269 147 168 443 381 212 409 -100 17 43 270 105 505 831 504 405 240 -103 185 422 462 355 129 -40 399 225 -417 -527 -197 -292 -483 -740 -1134 -1147 -927 -695 -278 -65 383 1038 824 1139 940 594 407 319 134 449 253 -182 -101 -933 -687 -529 -649 -1181 -990 -1158 -345 40 69 386 163 249 158 425 301 220 -426 -177 -970 -167 -147 119 408 652 488 1290 847 808 599 76 113 562 -209 -45 -375 110 -355 -528 -198 -311 -311 SS 20241004T132354.0Z 9043.558264 63 1 49.49 2 76.46 103.53 96.63 102.70 0.00 1 0.00 1 0 25 1.111e-01 5.818e-03 9.822e-03 5.717e-04 4.953882e-01 2.937163e-04 5.358303e-03 -6.000000e+00 6.382097e-02 227.48 -2.00 3.24 -2.00 319.56 0.00e+00 1.322570e-03 8.718655e-05 1.892388e-04 -6.000000e+00 2.920786e-03 292.07 -2.00 20.00 -2.00 318.74 0.00e+00 4.167 0.001 302.00 328.00 3 5.6475e-01 8.4441e-04 4.7724e-02 -6.0000e+00 1.5797e-01 3.6525e-03 1.0132e-03 2.3998e-02 -6.0000e+00 1.7093e-01 -1.1752e-02 8.0369e-04 1.1824e-02 -6.0000e+00 1.0244e-01 -1.3757e-03 4.2303e-04 3.8112e-03 -6.0000e+00 4.4270e-02 2.7754e-03 -3.0422e-04 1.6072e-05 3.8193e-05 -6.0000e+00 3.0160e-03 -4.9780e-02 1.8438e-04 10 0 0 10 0 0 79.26 24.01 0.27 -0.04978 -0.05207 589 125 1 5 0 84.010 26.62 20.00 24.01 30.33 33.1 1094.84 -113873 -15448 -19274 -8212 -26189 -21143 -20424 -20395 -14237 -15471 -17276 -10662 -10245 -6299 -4072 -2165 1038 1065 478 -1186 1282 -2223 -1914 -2894 -2116 -2971 -2628 -2584 -3696 -2622 -706 1526 635 -13 -3718 -2321 -3395 -473 -1013 -867 -554 -383 -121 -25 1044 540 411 153 756 269 797 735 1050 1142 992 899 1088 573 412 579 420 958 1229 1927 1591 551 31 -239 54 652 449 495 357 240 376 -18 -351 -1043 -610 -862 -959 -896 -1461 -1548 -1200 -876 -397 60 268 722 732 928 476 358 187 75 144 403 328 -101 -169 -643 -728 -411 -522 -965 -677 -622 -268 413 197 333 227 234 19 119 78 30 -82 -29 -379 -176 -31 209 238 375 159 712 615 505 478 110 15 11 27 5 -239 66 -70 -171 -201 -128 -382 -4115 -242 -336 -125 -435 -326 -337 -386 -289 -345 -406 -256 -295 -216 -167 -103 48 54 26 -70 76 -138 -123 -204 -160 -241 -217 -206 -287 -209 -63 153 74 -2 -464 -280 -453 -67 -176 -181 -130 -96 -32 -7 282 149 115 43 202 76 243 248 384 451 415 365 455 242 171 253 176 434 621 1073 872 314 17 -132 30 414 318 348 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