File name: Pandora257s1_AustinTX_20250623_L2Fit_fout2c2d20230110p1-8.txt File generation date: 20250624T064008.9Z 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_20250623_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: 20250623 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 20250623T123434.8Z 9305.524014 126 1 4.25 2 78.21 69.62 53.55 78.75 0.00 1 0.00 1 0 17 2.971e-01 1.120e-02 2.532e-01 7.315e-03 5.976014e-01 4.199925e-03 6.315306e-03 -6.000000e+00 1.917161e-01 230.76 -2.00 3.25 -2.00 320.34 0.00e+00 3.057686e-04 1.686031e-03 7.114834e-04 -6.000000e+00 9.462025e-03 291.89 -2.00 20.00 -2.00 319.57 0.00e+00 4.739 0.001 302.00 328.00 3 2.4806e+00 1.3173e-02 5.4737e-02 -6.0000e+00 4.7800e-01 4.1676e-02 1.6611e-02 2.9555e-02 -6.0000e+00 5.1638e-01 -4.6134e-02 1.4109e-02 1.4475e-02 -6.0000e+00 3.0832e-01 1.1670e-02 7.0015e-03 4.0057e-03 -6.0000e+00 1.2750e-01 2.2875e-04 -4.3365e-04 2.4346e-04 6.2794e-05 -6.0000e+00 1.0837e-02 2.9975e-02 -1.3558e-04 12 9 9 12 1 1 99.85 28.32 0.38 0.02997 0.02672 6 9 1 5 0 606.890 36.25 19.99 28.32 31.04 0.0 967.41 -43158 -72731 -108917 900000 -170361 3838 -56074 -66465 -33030 -63619 900000 -51412 -44935 900000 150681 -49702 -33320 900000 90462 23016 11170 -19001 91163 18637 -5671 -38125 -19307 -17261 -14062 10271 -15393 11633 -17018 31064 -5352 -33813 -23162 3707 2916 15819 7031 -643 3023 -9180 2361 -4848 -4485 16477 4250 4630 5717 4843 10209 4707 -2803 -830 949 -1803 2576 -668 -3200 6858 5330 -73 -744 -93 4057 2196 -1879 1919 487 1495 248 -395 -381 723 -510 -2652 -1229 -2003 -2935 -515 -1436 -2049 967 274 416 -416 756 17 -1000 756 727 -646 727 1353 506 -65 -173 -1205 -764 -449 897 -177 697 -2787 -690 623 -1471 312 295 756 -525 779 796 -51 55 -218 628 -302 -206 -374 -161 1513 459 11 -318 798 1410 157 -180 -450 -138 361 -601 -591 -54 554 480 -279 -646 48 -80 -308 -566 -1270 900000 -3643 27 -480 -711 -283 -816 900000 -770 -769 900000 1074 -1523 -974 900000 903 476 271 -650 1105 505 -210 -2038 -867 -763 -621 388 -856 564 -1213 1439 -366 -3254 -2262 328 310 1714 927 -99 468 -1649 385 -867 -818 2525 776 908 1219 1150 2511 1199 -816 -247 283 -555 755 -204 -1053 2222 1931 -30 -320 -40 1685 975 -951 1037 265 834 139 -212 -206 358 -245 -1334 -672 -1159 -1965 -378 -1075 -1659 811 246 389 -400 716 16 -879 619 582 -542 661 1386 551 -79 -209 -1471 -948 -517 968 -194 791 -3464 -833 797 -2092 448 458 1216 -857 1218 1190 -75 81 -331 991 -495 -338 -603 -250 2231 656 16 -467 1206 2160 268 -316 -844 -258 710 -1195 -1234 -116 1194 1030 -585 -1297 98 -158 SS 20250623T123847.0Z 9305.526933 129 1 54.70 2 77.36 70.08 52.68 79.12 0.00 1 0.00 1 0 17 2.079e-01 6.892e-03 2.979e-02 1.213e-03 5.652063e-01 6.822035e-04 6.003522e-03 -6.000000e+00 1.334787e-01 230.76 -2.00 3.25 -2.00 320.01 0.00e+00 1.025666e-03 2.436978e-04 1.021567e-03 -6.000000e+00 6.212335e-03 291.89 -2.00 20.00 -2.00 319.20 0.00e+00 4.443 0.001 302.00 328.00 3 1.9787e+00 2.0632e-03 5.1475e-02 -6.0000e+00 3.3233e-01 2.9352e-02 2.5420e-03 2.8012e-02 -6.0000e+00 3.5828e-01 -3.1366e-02 2.0570e-03 1.3874e-02 -6.0000e+00 2.1424e-01 2.8116e-03 1.0325e-03 3.9950e-03 -6.0000e+00 8.8756e-02 5.1607e-04 2.3150e-04 4.0329e-05 6.2117e-05 -6.0000e+00 7.5173e-03 2.8812e-02 -1.2420e-06 11 8 0 10 0 0 100.00 28.32 0.38 0.02881 0.03055 316 30 1 5 0 173.070 36.25 20.00 28.32 31.15 0.0 968.44 -60981 -71042 -39893 -35199 -108740 -90713 -66164 -67611 -63549 -77899 -38314 -47164 -38392 13512 3835 -23885 -5906 14795 10369 4689 9952 -1888 12378 2776 -9940 -15281 -11770 -13184 -15026 -5560 -3265 -8286 -7535 1061 -8791 10323 -10494 -2948 -2305 1116 2962 82 3079 -3704 -1158 -2685 -1659 3080 -765 1470 1394 3882 2435 4030 496 1077 802 999 204 -36 425 1394 3319 1727 -436 -147 2335 949 575 1488 948 908 -113 -6 -136 -268 383 -2004 -866 -1101 -1769 -1341 -2169 -1394 -374 -497 -115 403 577 870 -319 186 -220 578 508 515 206 553 53 -648 -434 -956 -408 -46 -101 -1350 -805 -349 -96 536 257 55 110 150 -36 251 177 244 458 -105 -79 -191 155 796 115 435 138 528 779 -40 -68 -299 -333 -50 -74 -56 -252 361 428 -141 -142 -280 -299 -621 -891 -382 -321 -2046 -1471 -916 -1064 -1068 -1659 -612 -960 -868 222 83 -789 -182 406 319 161 337 -75 451 120 -521 -879 -662 -754 -900 -328 -213 -647 -643 87 -816 834 -1175 -361 -333 181 523 16 611 -736 -229 -548 -342 688 -169 341 354 1058 734 1285 173 389 297 369 76 -14 167 589 1511 788 -210 -71 1096 471 313 888 615 564 -70 -4 -81 -148 200 -1094 -513 -746 -1274 -1077 -1782 -1221 -346 -489 -110 392 557 865 -303 166 -192 516 496 530 240 670 68 -842 -536 -1108 -477 -54 -116 -1661 -1047 -456 -135 776 401 89 178 235 -54 364 258 367 720 -172 -130 -307 241 1184 175 639 201 791 1192 -67 -119 -555 -618 -97 -145 -116 -538 743 917 -296 -284 -566 -593 SS 20250623T124323.2Z 9305.530130 132 1 3.03 2 76.43 70.58 51.74 79.52 0.00 1 0.00 1 0 17 3.237e-01 1.305e-02 2.776e-01 1.003e-02 5.294801e-01 5.695049e-03 5.639100e-03 -6.000000e+00 2.088322e-01 230.76 -2.00 3.25 -2.00 319.91 0.00e+00 1.380023e-03 1.990091e-03 8.884152e-04 -6.000000e+00 1.003539e-02 291.89 -2.00 20.00 -2.00 319.10 0.00e+00 4.157 0.001 302.00 328.00 3 3.1183e+00 1.7146e-02 4.8181e-02 -6.0000e+00 5.2085e-01 1.6951e-02 2.0929e-02 2.6159e-02 -6.0000e+00 5.6224e-01 1.9881e-02 1.6934e-02 1.3024e-02 -6.0000e+00 3.3527e-01 -2.2629e-02 8.5806e-03 3.9215e-03 -6.0000e+00 1.3874e-01 2.2099e-04 4.2074e-04 3.4329e-04 5.9961e-05 -6.0000e+00 1.1819e-02 2.7974e-02 -4.7965e-05 12 9 9 12 1 1 999.00 28.32 0.46 0.02797 0.03114 2 5 1 5 0 1006.110 36.25 20.00 28.32 31.31 0.0 969.46 24158 57164 20793 900000 -95879 -92753 71769 -42255 900000 241135 -37474 9974 14450 900000 900000 -6969 17863 56630 -657 7254 115744 -41267 162152 -6093 -1550 -16613 1518 11356 562 13702 9867 4519 -17363 4402 -35088 29937 -13278 -6910 -2941 7659 509 6583 10067 -3176 -370 -8239 -10694 5940 -558 11713 3841 9535 1748 7231 2941 -2036 1132 642 1699 1815 -5527 -3139 2141 1040 -1045 1664 6296 2218 433 3730 -3192 -507 -595 -2258 -1006 3161 623 -2666 -1164 -430 -4225 1229 -2214 -2705 1346 463 -1169 -1312 51 482 -1338 -1574 464 1586 1370 1099 1849 952 -284 88 -597 768 189 290 267 -2094 -533 -219 450 525 656 797 -375 -190 545 -708 147 -512 161 131 -303 -1260 25 2006 -44 676 968 126 472 -540 -1424 -567 -438 -379 422 -64 -188 453 913 -651 -62 24 126 236 558 203 900000 -1618 -1565 701 -578 900000 2356 -659 127 212 900000 900000 -211 471 1107 -24 262 1470 -2621 1584 -310 -80 -1039 80 544 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