File name: Pandora85s1_NewOrleansLA-XULA_20250806_L2Fit_fout2c6d20250326p1-8.txt File generation date: 20250813T142052.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Morewell Gasseller Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 85 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora85_OF_v3d20231120.txt Instrument calibration file used: Pandora85s1_CF_v6d20250326.txt Level 1 file used: Pandora85s1_NewOrleansLA-XULA_20250806_L1_smca1c6d20250326p1-8.txt Full location name: Xavier University of Louisiana Short location name: NewOrleansLA-XULA Country of location: United States Location latitude [deg]: 29.9643 Location longitude [deg]: -90.1074 Location altitude [m]: 10 Local noon date: 20250806 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OOB session based on clearance session 3 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0210 305.1616 305.3022 305.4428 305.5834 305.7240 305.8645 306.0051 306.1456 306.2862 306.4267 306.5672 306.7077 306.8481 306.9886 307.1291 307.2695 307.4099 307.5504 307.6908 307.8312 307.9716 308.1119 308.2523 308.3927 308.5330 308.6733 308.8136 308.9540 309.0943 309.2345 309.3748 309.5151 309.6553 309.7956 309.9358 310.0760 310.2162 310.3564 310.4966 310.6368 310.7769 310.9171 311.0572 311.1973 311.3375 311.4776 311.6176 311.7577 311.8978 312.0379 312.1779 312.3179 312.4580 312.5980 312.7380 312.8780 313.0179 313.1579 313.2978 313.4378 313.5777 313.7176 313.8576 313.9974 314.1373 314.2772 314.4171 314.5569 314.6968 314.8366 314.9764 315.1162 315.2560 315.3958 315.5356 315.6753 315.8151 315.9548 316.0945 316.2342 316.3739 316.5136 316.6533 316.7930 316.9326 317.0723 317.2119 317.3515 317.4911 317.6307 317.7703 317.9099 318.0494 318.1890 318.3285 318.4681 318.6076 318.7471 318.8866 319.0261 319.1655 319.3050 319.4444 319.5839 319.7233 319.8627 320.0021 320.1415 320.2809 320.4202 320.5596 320.6989 320.8383 320.9776 321.1169 321.2562 321.3955 321.5347 321.6740 321.8133 321.9525 322.0917 322.2309 322.3701 322.5093 322.6485 322.7877 322.9268 323.0660 323.2051 323.3442 323.4834 323.6225 323.7615 323.9006 324.0397 324.1787 324.3178 324.4568 324.5958 324.7348 324.8738 --------------------------------------------------------------------------------------- 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 20250806T121320.1Z 9349.509260 137 1 35.73 2 80.36 76.39 134.81 258.88 0.00 1 0.00 1 0 25 4.581e-01 1.700e-02 2.986e-01 8.175e-03 6.375784e-01 4.626580e-03 7.739607e-03 -6.000000e+00 2.738102e-01 229.75 -2.00 3.24 -2.00 321.45 0.00e+00 -2.231076e-03 2.549962e-03 9.385098e-03 -6.000000e+00 1.396677e-02 294.53 -2.00 20.00 -2.00 320.82 0.00e+00 5.689 0.002 302.00 328.00 3 2.1143e+00 1.7667e-02 8.4852e-02 -6.0000e+00 6.8073e-01 4.0844e-02 2.5032e-02 8.0461e-02 -6.0000e+00 7.3639e-01 -1.5596e-01 2.3949e-02 1.9378e-02 -6.0000e+00 4.3823e-01 5.8620e-02 1.1236e-02 1.3497e-02 -6.0000e+00 1.8869e-01 1.2584e-04 5.0942e-04 2.4925e-04 6.5020e-05 -6.0000e+00 1.3520e-02 1.2846e-02 0.0000e+00 12 9 9 12 5 1 26.82 32.83 0.70 0.01285 0.01667 25 4 1 5 0 1373.850 40.75 20.00 32.83 31.93 3.9 1029.17 -161770 900000 -163716 900000 900000 -201014 900000 -133532 900000 -131777 -109939 39251 -135236 -97305 -75902 -94641 900000 -120201 -74668 -41059 -46095 -107720 -4839 900000 -18478 900000 15822 900000 -102540 59244 127817 -16421 44758 -8196 -25595 -3715 -52863 14555 33265 28365 44453 20761 8544 17180 13159 32418 -3599 30013 -3230 -10238 1663 18356 10753 12025 17100 17508 3246 -8134 10049 15012 -7045 9689 7282 7243 -1042 10630 4557 -1096 -1553 5699 960 5107 4594 -4208 3792 1729 -8766 2845 888 -3565 -6288 -3378 -5765 984 -1455 1596 2648 2257 4046 -141 -1061 -3426 -2680 -2250 -2390 -376 723 629 1546 -1254 -2624 -1132 -1841 -3002 -1932 -1558 -827 -1048 -1284 374 3413 2620 249 1477 -377 -1702 -1352 -380 866 666 86 2417 1077 1394 -397 480 -2337 138 -1095 -136 -139 -392 -301 -661 -473 -790 262 1350 466 176 753 -1123 -605 -1288 900000 -1540 900000 900000 -2472 900000 -1063 900000 -1335 -955 312 -2055 -1267 -989 -1780 900000 -3653 -1567 -654 -800 -3507 -60 900000 -321 900000 218 900000 -4303 514 1017 -416 712 -243 -889 -102 -2601 475 1112 1219 1875 1206 592 1121 901 1858 -301 1839 -288 -1043 167 1753 1224 1483 2164 2327 519 -1476 1488 2067 -1228 1542 1339 1505 -252 2267 1016 -265 -409 1606 319 1735 1583 -1520 1171 491 -2547 727 251 -1234 -2632 -1584 -3088 528 -857 981 1703 1512 2695 -96 -683 -2111 -1566 -1316 -1530 -271 596 597 1617 -1384 -2810 -1098 -1636 -2633 -1786 -1535 -853 -1160 -1547 493 4864 4057 366 2101 -572 -2491 -1951 -563 1343 1092 144 3849 1682 2104 -585 677 -3282 191 -1686 -235 -242 -737 -597 -1389 -1062 -1898 645 3355 1181 436 1760 -2534 -1300 SS 20250806T122113.5Z 9349.514739 142 1 53.97 2 78.70 77.30 136.41 259.54 0.00 1 0.00 1 0 25 3.184e-01 1.072e-02 1.334e-01 2.681e-03 5.671509e-01 1.463481e-03 7.183589e-03 -6.000000e+00 1.863086e-01 229.75 -2.00 3.24 -2.00 320.98 0.00e+00 9.851279e-04 6.846164e-04 7.005632e-03 -6.000000e+00 8.549483e-03 294.53 -2.00 20.00 -2.00 320.25 0.00e+00 4.923 0.001 302.00 328.00 3 1.4153e+00 5.0710e-03 6.7555e-02 -6.0000e+00 4.6311e-01 -1.3610e-02 6.7737e-03 5.7576e-02 -6.0000e+00 4.9946e-01 -6.3179e-02 6.1503e-03 1.7300e-02 -6.0000e+00 2.9930e-01 1.4694e-02 2.9958e-03 7.5016e-03 -6.0000e+00 1.2916e-01 5.5577e-04 4.9333e-04 7.9910e-05 6.8071e-05 -6.0000e+00 8.8743e-03 1.1973e-02 0.0000e+00 12 9 8 11 4 0 30.96 32.85 0.52 0.01197 0.01568 131 15 1 5 0 411.970 40.75 20.01 32.85 32.41 3.9 1031.80 -131621 -139965 -106574 -40622 11292 -97594 -89834 -153666 -88094 -80606 -75234 -78958 -69040 -40512 -73229 -27278 1679 -11276 -27124 12414 -28957 -1451 -44305 -9237 -13748 -25117 -24013 -1238 -12168 -23099 -24940 -6264 -11349 -14574 -15917 -8791 -7594 -764 -5186 2252 -206 8079 7696 -2834 2679 3659 4272 387 -1476 631 1206 2498 3812 4514 5351 4551 2097 4952 461 1356 2205 3820 1600 4730 3035 2691 -49 -1300 1382 1468 1849 2407 1336 1408 735 -930 -4460 -4934 -3373 -3333 -2304 -1142 -1676 -1358 -827 -96 414 1622 1954 1217 1027 -955 -2113 -1846 -1798 -1922 54 637 195 -535 -1079 -2571 -1807 -1638 -1325 -1786 -504 310 542 1496 1973 1646 1291 617 -441 -550 -506 207 155 693 453 983 795 721 -356 -574 -1526 -225 -406 -573 -442 -766 -744 -533 -300 225 -253 1138 724 116 205 -350 -540 -1220 -1664 -988 -193 30 -742 -683 -2520 -859 -805 -751 -901 -870 -481 -1497 -421 22 -185 -567 186 -681 -26 -1285 -206 -350 -841 -823 -33 -350 -773 -978 -239 -525 -762 -828 -418 -389 -43 -373 183 -20 767 775 -327 297 409 484 47 -187 83 172 394 651 834 1051 942 462 1071 102 294 484 892 429 1380 959 840 -15 -416 463 562 792 1091 618 626 306 -355 -1621 -1764 -1274 -1463 -1170 -656 -1075 -927 -601 -74 338 1360 1654 1015 806 -712 -1509 -1306 -1374 -1674 53 648 221 -624 -1210 -2696 -1888 -1671 -1437 -1894 -555 362 681 2053 2980 2667 2128 994 -680 -804 -730 307 243 1150 767 1623 1275 1122 -535 -835 -2159 -315 -622 -984 -832 -1554 -1585 -1092 -654 520 -609 2762 1788 282 474 -775 -1150 SS 20250806T122707.4Z 9349.518835 145 1 53.93 2 77.45 77.98 137.60 260.03 0.00 1 0.00 1 0 25 2.352e-01 1.030e-02 5.072e-02 1.665e-03 5.223113e-01 8.828653e-04 6.641208e-03 -6.000000e+00 1.376160e-01 229.75 -2.00 3.24 -2.00 320.67 0.00e+00 2.190352e-03 3.720592e-04 5.766644e-03 -6.000000e+00 6.315010e-03 294.53 -2.00 20.00 -2.00 319.90 0.00e+00 4.470 0.001 302.00 328.00 3 1.1630e+00 2.8913e-03 5.8745e-02 -6.0000e+00 3.4207e-01 -1.7282e-02 3.7408e-03 4.6663e-02 -6.0000e+00 3.6893e-01 -3.8591e-02 3.2891e-03 1.5826e-02 -6.0000e+00 2.2107e-01 4.0455e-03 1.6402e-03 4.9294e-03 -6.0000e+00 9.5404e-02 1.1346e-03 1.2990e-04 4.9195e-05 6.9904e-05 -6.0000e+00 6.5549e-03 1.1902e-02 0.0000e+00 12 9 8 11 4 0 96.24 32.88 0.42 0.01190 0.01288 206 23 1 5 0 261.750 40.75 20.01 32.88 32.85 3.9 1033.67 -86628 -87538 -37297 -81356 -104013 -91175 -79095 -61370 -70962 -55689 -47301 -46342 -45091 -47891 -33013 -21315 -20811 -22293 -19622 -12622 -10485 -19248 -15076 -4185 -7922 -13284 -9654 -18794 -17383 -23870 -12255 -5486 -4027 -7605 -6052 -10131 -6791 -1277 905 653 2056 2934 1336 -144 3697 3076 460 -878 -436 -904 1336 129 2693 2905 4025 3409 3500 928 1290 559 1068 3483 3325 4950 2204 1375 170 -1055 490 1865 1400 2580 1651 1580 53 -1947 -2499 -4117 -2658 -2739 -2296 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