File name: Pandora257s1_AustinTX_20250517_L2Fit_fout2c2d20230110p1-8.txt File generation date: 20250518T063207.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Paul Walter Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 257 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora257_OF_v3d20221216.txt Instrument calibration file used: Pandora257s1_CF_v2d20230110.txt Level 1 file used: Pandora257s1_AustinTX_20250517_L1_smca1c2d20230110p1-8.txt Full location name: St. Edward's University Short location name: AustinTX Country of location: United States Location latitude [deg]: 30.2285 Location longitude [deg]: -97.7544 Location altitude [m]: 205 Local noon date: 20250517 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 session based on clearance session 1 First and last pixel inside fitting window: 228 370 Nominal wavelengths inside fitting window [nm]: 305.0779 305.2183 305.3587 305.4991 305.6395 305.7799 305.9203 306.0607 306.2010 306.3413 306.4817 306.6220 306.7623 306.9026 307.0429 307.1832 307.3234 307.4637 307.6039 307.7442 307.8844 308.0246 308.1648 308.3050 308.4452 308.5854 308.7255 308.8657 309.0058 309.1459 309.2860 309.4261 309.5662 309.7063 309.8464 309.9865 310.1265 310.2665 310.4066 310.5466 310.6866 310.8266 310.9666 311.1065 311.2465 311.3865 311.5264 311.6663 311.8062 311.9461 312.0860 312.2259 312.3658 312.5057 312.6455 312.7854 312.9252 313.0650 313.2048 313.3446 313.4844 313.6242 313.7639 313.9037 314.0434 314.1832 314.3229 314.4626 314.6023 314.7420 314.8816 315.0213 315.1610 315.3006 315.4402 315.5799 315.7195 315.8591 315.9986 316.1382 316.2778 316.4173 316.5569 316.6964 316.8359 316.9754 317.1149 317.2544 317.3939 317.5334 317.6728 317.8123 317.9517 318.0911 318.2305 318.3699 318.5093 318.6487 318.7880 318.9274 319.0667 319.2061 319.3454 319.4847 319.6240 319.7633 319.9025 320.0418 320.1810 320.3203 320.4595 320.5987 320.7379 320.8771 321.0163 321.1555 321.2946 321.4338 321.5729 321.7121 321.8512 321.9903 322.1294 322.2685 322.4075 322.5466 322.6856 322.8247 322.9637 323.1027 323.2417 323.3807 323.5197 323.6587 323.7976 323.9366 324.0755 324.2144 324.3533 324.4922 324.6311 324.7700 324.9089 --------------------------------------------------------------------------------------- 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 20250517T135543.5Z 9268.580365 273 1 54.68 2 61.72 82.85 76.34 227.24 0.00 1 0.00 1 0 25 9.463e-03 5.648e-03 1.167e-03 5.126e-04 2.579209e-01 2.855792e-04 2.813783e-03 -6.000000e+00 6.080466e-03 230.92 -2.00 3.25 -2.00 316.54 0.00e+00 2.843736e-04 3.595112e-05 7.800824e-05 -6.000000e+00 2.793970e-04 289.01 -2.00 20.00 -2.00 315.71 0.00e+00 2.100 0.000 302.00 328.00 3 3.0339e+00 7.4900e-04 2.3960e-02 -6.0000e+00 1.5161e-02 -1.2410e-02 8.3548e-04 1.2362e-02 -6.0000e+00 1.6350e-02 -1.1030e-03 4.7861e-04 5.9580e-03 -6.0000e+00 9.7572e-03 -3.1921e-03 2.1616e-04 1.6316e-03 -6.0000e+00 4.0290e-03 2.4476e-03 3.3619e-04 1.8199e-05 2.5303e-05 -6.0000e+00 3.4213e-04 2.6588e-02 -2.8997e-05 10 0 0 10 0 0 99.99 28.43 0.27 0.02659 0.02911 529 51 1 5 0 103.350 36.25 20.00 28.43 33.96 0.0 990.36 -1610 -2566 -3108 -3211 -4056 -2382 -454 461 -732 -1608 -2166 -1345 -573 566 622 -539 -319 636 1003 902 1147 360 1580 1383 571 35 -287 -650 -128 945 874 677 632 -907 -2558 -460 -1151 -504 -60 -290 -1162 -868 -451 -734 -431 -343 -701 -121 -208 269 874 1059 692 1215 363 672 830 622 481 857 1103 1447 1394 1091 -142 -675 75 83 805 951 204 90 -103 116 -77 -207 -157 -622 -251 -514 -1163 -1450 -1854 -1575 -844 -669 -281 -136 189 220 45 314 14 427 708 470 201 417 40 -489 -416 -598 -526 111 -107 -994 -661 -336 -219 378 374 225 78 -12 -61 133 427 264 362 252 -94 -156 354 366 385 611 252 695 939 301 163 -56 -283 -68 148 -1 -234 166 165 -285 -331 -405 -667 -254 -431 -524 -519 -631 -363 -72 78 -135 -313 -440 -290 -135 149 166 -158 -98 202 329 305 394 127 566 518 207 13 -105 -249 -47 347 335 255 249 -367 -1050 -190 -528 -246 -34 -172 -709 -555 -295 -487 -285 -225 -455 -77 -131 173 584 748 487 889 277 522 651 489 377 677 903 1183 1211 984 -129 -586 62 69 697 849 197 86 -99 112 -70 -181 -128 -525 -208 -468 -1117 -1452 -2001 -1718 -974 -782 -343 -163 224 264 50 341 15 448 775 534 241 516 52 -632 -513 -730 -621 133 -130 -1287 -861 -459 -301 546 539 327 114 -17 -83 178 567 349 505 355 -136 -225 498 516 518 818 328 906 1275 417 229 -82 -425 -102 232 -2 -383 277 277 -471 -532 -634 -1072 SS 20250517T142933.7Z 9268.603862 291 1 54.75 2 54.44 86.69 81.71 232.36 0.00 1 0.00 1 0 17 7.764e-03 5.900e-03 3.383e-04 2.170e-04 2.122860e-01 1.222857e-04 2.344863e-03 -6.000000e+00 4.988474e-03 230.92 -2.00 3.25 -2.00 315.35 0.00e+00 3.522847e-04 1.181798e-05 3.042589e-05 -6.000000e+00 2.292323e-04 289.01 -2.00 20.00 -2.00 314.61 0.00e+00 1.715 0.000 302.00 328.00 3 1.8464e+00 3.1595e-04 1.9610e-02 -6.0000e+00 1.2438e-02 -1.4120e-02 3.4980e-04 1.0176e-02 -6.0000e+00 1.3414e-02 -1.4848e-04 1.9905e-04 4.9115e-03 -6.0000e+00 8.0049e-03 -3.0878e-03 8.5250e-05 1.3581e-03 -6.0000e+00 3.3054e-03 1.2529e-02 2.7812e-04 7.7115e-06 2.2636e-05 -6.0000e+00 2.8070e-04 2.6572e-02 -3.8988e-05 10 0 0 10 0 0 99.93 28.48 0.31 0.02657 0.02866 1061 102 1 5 0 51.590 36.25 20.00 28.48 35.55 0.0 1001.64 -574 -1550 -1916 -2873 -2069 -614 233 796 215 -1052 -1684 -254 44 344 394 -72 -238 669 792 1218 837 592 1114 1108 631 449 -154 -443 205 1298 1309 864 896 -897 -2234 -1029 -742 -383 -109 -540 -1206 -935 -688 -704 -536 -319 -634 -368 -299 163 914 911 788 929 466 665 859 467 518 763 1106 1394 1219 1059 -4 -575 -103 55 736 926 168 -44 -80 112 -51 -246 -208 -492 -131 -378 -1219 -1419 -1854 -1670 -909 -658 -348 -157 145 155 74 231 77 377 772 563 256 520 82 -471 -459 -484 -545 102 -69 -928 -687 -407 -199 306 382 177 30 23 -71 162 360 336 383 346 -81 -42 357 349 501 673 300 775 959 320 164 -76 -246 -47 136 1 -240 139 97 -391 -334 -436 -725 -169 -451 -594 -856 -580 -168 66 243 66 -338 -560 -88 16 135 159 -31 -108 295 359 563 395 283 543 560 314 227 -77 -224 99 617 641 447 455 -467 -1168 -546 -408 -230 -72 -384 -895 -697 -524 -541 -411 -241 -471 -277 -222 122 706 712 622 762 395 552 718 391 432 643 963 1235 1143 989 -3 -528 -93 49 663 873 165 -45 -82 110 -49 -224 -181 -433 -114 -347 -1202 -1477 -2008 -1858 -1037 -772 -416 -191 176 187 86 255 82 391 826 633 298 632 101 -579 -556 -571 -644 119 -85 -1153 -895 -539 -268 421 542 253 42 30 -93 207 455 428 501 465 -112 -58 483 467 655 861 372 959 1231 422 221 -106 -343 -66 201 2 -364 216 152 -602 -501 -653 -1075 SS 20250517T143606.2Z 9268.608405 295 1 54.74 2 53.03 87.46 82.79 233.29 0.00 1 0.00 1 0 17 7.652e-03 5.939e-03 2.840e-04 1.881e-04 2.057546e-01 1.060692e-04 2.272622e-03 -6.000000e+00 4.916343e-03 230.92 -2.00 3.25 -2.00 315.21 0.00e+00 3.571270e-04 9.950957e-06 2.613104e-05 -6.000000e+00 2.259273e-04 289.01 -2.00 20.00 -2.00 314.49 0.00e+00 1.659 0.000 302.00 328.00 3 1.6359e+00 2.7372e-04 1.8974e-02 -6.0000e+00 1.2258e-02 -1.5047e-02 3.0297e-04 9.8536e-03 -6.0000e+00 1.3220e-02 4.6138e-04 1.7243e-04 4.7571e-03 -6.0000e+00 7.8892e-03 -3.4054e-03 7.3410e-05 1.3172e-03 -6.0000e+00 3.2575e-03 1.6515e-02 2.1835e-04 6.6869e-06 2.2095e-05 -6.0000e+00 2.7665e-04 2.6559e-02 -4.7462e-05 10 0 0 10 0 0 99.29 28.51 0.32 0.02656 0.02820 1214 117 1 5 0 45.080 36.25 20.00 28.51 36.01 0.0 1004.78 -572 -1389 -1957 -2688 -1832 -664 323 751 412 -1075 -1540 -503 274 351 365 -132 12 526 642 1216 946 601 1148 1082 646 407 -106 -460 229 1333 1346 864 917 -831 -2214 -1001 -567 -308 -149 -535 -1223 -1041 -715 -793 -578 -308 -668 -375 -266 144 948 861 702 901 524 657 859 428 469 779 1161 1433 1205 1021 -30 -615 -147 53 766 908 174 -25 -91 66 -24 -259 -180 -459 -106 -372 -1164 -1408 -1873 -1703 -925 -667 -355 -153 167 171 80 238 59 376 778 505 284 475 117 -491 -461 -460 -538 134 -99 -957 -650 -404 -231 319 377 162 61 25 -47 159 403 339 381 346 -57 -63 349 319 458 702 330 784 942 335 145 -86 -244 -62 137 11 -242 133 118 -410 -339 -437 -702 -178 -455 -638 -840 -538 -190 96 240 132 -363 -536 -183 101 144 154 -60 5 243 306 589 466 301 556 543 337 215 -55 -230 115 658 684 440 483 -448 -1200 -550 -323 -192 -98 -381 -911 -811 -548 -613 -445 -233 -517 -283 -198 108 729 672 576 740 444 566 745 373 407 681 1012 1274 1134 958 -28 -565 -132 47 688 855 172 -25 -93 65 -23 -235 -162 -400 -95 -340 -1142 -1461 -2027 -1896 -1057 -787 -425 -188 203 201 93 263 63 400 829 566 329 578 144 -606 -558 -542 -634 156 -118 -1192 -826 -537 -313 440 524 226 85 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