File name: Pandora257s1_AustinTX_20250427_L2Fit_fout2c2d20230110p1-8.txt File generation date: 20250428T063234.5Z 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_20250427_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: 20250427 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 20250427T125157.7Z 9248.536084 67 1 55.39 2 78.05 80.61 74.09 81.40 0.00 1 0.00 1 0 25 4.758e-01 1.592e-02 1.592e-01 3.380e-03 5.276969e-01 1.957115e-03 5.611210e-03 -6.000000e+00 3.077103e-01 229.93 -2.00 3.25 -2.00 320.48 0.00e+00 5.741968e-03 8.055101e-04 4.520367e-04 -6.000000e+00 1.549148e-02 287.49 -2.00 20.00 -2.00 319.78 0.00e+00 4.681 0.001 302.00 328.00 3 3.5303e+00 6.1912e-03 5.2541e-02 -6.0000e+00 7.7003e-01 4.3540e-02 7.8321e-03 2.6696e-02 -6.0000e+00 8.3516e-01 -1.0276e-01 6.7119e-03 1.4719e-02 -6.0000e+00 4.9527e-01 4.2035e-02 3.2839e-03 8.1492e-03 -6.0000e+00 2.0349e-01 9.2216e-05 -3.5644e-04 1.2006e-04 9.9569e-05 -6.0000e+00 1.7384e-02 2.7003e-02 -9.6655e-05 12 8 8 10 0 0 98.29 27.86 0.32 0.02700 0.02432 41 4 1 5 0 1350.870 36.00 20.00 27.86 27.22 0.0 941.31 15436 -102652 2712 900000 -149037 -115288 -96752 -81306 900000 -45680 900000 -94175 -124660 900000 900000 1804 20075 900000 215726 900000 900000 699 174298 51696 38789 -33864 -27078 50411 6642 5497 -7893 14666 -14670 30841 1909 330598 -37301 -5784 2803 8668 10691 11824 22527 -2282 -637 -6270 -9123 19105 7155 6141 12344 26020 2751 9761 -1423 -1528 -872 2671 1071 735 4 966 15296 -407 -4616 -1568 6936 4327 -2461 1405 444 3470 -2598 457 558 604 216 -8089 -701 -2456 -2930 -1973 -4600 -2284 1446 -1863 -1125 900 1211 830 1618 -2310 168 -626 340 2796 875 -285 -890 -721 130 -950 1258 10 622 -1946 -1443 677 124 951 312 267 -85 1206 -614 151 438 -606 395 -524 212 -403 -151 70 -428 396 1214 560 1598 -199 -492 -779 726 376 -577 -306 -708 512 906 704 -321 -936 -310 74 -1781 17 900000 -4102 -2277 -1679 -1314 900000 -601 900000 -2564 -5594 900000 900000 39 443 900000 781 900000 900000 24 1090 1157 1034 -1917 -1444 1244 262 239 -444 748 -1101 1533 129 1088 -4321 -569 297 993 1326 1557 2795 -375 -105 -1123 -1717 2792 1229 1136 2332 4684 676 2387 -408 -453 -261 771 313 219 1 330 4979 -151 -1845 -605 2701 1793 -1076 653 225 1768 -1396 228 258 284 97 -3652 -322 -1307 -1788 -1335 -3485 -1813 1182 -1671 -962 773 1033 750 1372 -1922 132 -509 298 2473 894 -327 -1092 -884 151 -1042 1285 11 675 -2294 -1799 885 163 1351 479 426 -136 1836 -907 215 622 -901 611 -848 343 -646 -235 105 -617 548 1776 786 2400 -333 -893 -1399 1351 741 -1214 -629 -1507 1094 1926 1460 -692 -1947 -629 SS 20250427T125711.1Z 9248.539712 70 1 55.08 2 76.93 81.22 73.00 81.97 0.00 1 0.00 1 0 17 3.035e-01 8.994e-03 1.381e-01 2.202e-03 5.082588e-01 1.234812e-03 5.365177e-03 -6.000000e+00 1.942443e-01 229.93 -2.00 3.25 -2.00 320.04 0.00e+00 1.957646e-03 4.382277e-04 3.373681e-04 -6.000000e+00 8.905322e-03 287.49 -2.00 20.00 -2.00 319.31 0.00e+00 4.310 0.001 302.00 328.00 3 3.2263e+00 3.7074e-03 4.8805e-02 -6.0000e+00 4.8337e-01 1.4207e-03 4.5324e-03 2.5053e-02 -6.0000e+00 5.2185e-01 -4.4184e-03 3.7584e-03 1.2591e-02 -6.0000e+00 3.1140e-01 -1.1776e-02 1.8891e-03 4.4901e-03 -6.0000e+00 1.2859e-01 1.8119e-04 -3.2174e-04 7.5746e-05 6.1555e-05 -6.0000e+00 1.0968e-02 2.6655e-02 -9.8651e-05 11 8 0 10 0 0 98.05 27.86 0.44 0.02665 0.02424 71 7 1 5 0 775.710 35.75 20.00 27.86 27.46 0.0 943.48 39219 -36287 132576 252288 -91579 -70116 -43442 -52901 10690 -57641 12518 -53307 -33339 51905 33048 -20087 1999 34469 28438 21542 52416 -8015 47330 7532 19500 -21098 -15790 6906 -9509 97 -10262 -3046 -10364 1658 -5332 40700 -18056 -3236 -3920 2431 529 2787 5761 -6709 -2751 -6078 -4218 2123 2110 1976 4702 6982 2736 5007 -1181 236 -715 552 -921 532 -1215 1491 5170 -572 -2291 -1342 4548 2241 -1297 1263 1479 1837 -221 702 -237 774 1441 -3611 -675 -753 -1621 -1402 -3037 -1249 124 -1017 164 863 860 774 -831 -99 608 379 287 1602 278 596 -252 -529 -401 -787 419 -116 -54 -1418 -986 74 -230 997 161 168 13 340 -331 -126 174 -140 214 -182 -60 -179 -419 1142 -46 339 493 237 533 15 -536 -263 -194 -40 -116 97 -229 641 442 71 -319 -558 -156 168 -368 285 542 -1645 -1040 -534 -795 103 -1200 142 -1351 -830 669 610 -725 64 873 818 698 1294 -375 1341 340 829 -1395 -1000 348 -578 6 -756 -235 -944 140 -492 2491 -2225 -404 -582 391 96 532 1117 -1515 -609 -1415 -980 474 491 490 1232 1955 788 1508 -398 81 -254 194 -328 189 -461 597 2181 -274 -1144 -659 2098 1095 -712 747 865 1111 -136 445 -141 422 740 -1974 -390 -493 -1118 -1077 -2587 -1120 109 -953 160 852 845 735 -758 -91 539 344 261 1613 320 703 -317 -667 -482 -958 481 -134 -66 -1718 -1262 100 -314 1462 256 276 21 534 -498 -183 252 -210 335 -299 -99 -291 -663 1718 -67 510 728 362 816 25 -915 -474 -368 -75 -230 202 -494 1394 962 151 -653 -1104 -301 SS 20250427T130242.2Z 9248.543544 73 1 54.63 2 75.76 81.87 71.84 82.56 0.00 1 0.00 1 0 17 1.406e-01 7.990e-03 2.910e-02 1.553e-03 4.747937e-01 8.596221e-04 5.024123e-03 -6.000000e+00 9.003050e-02 229.93 -2.00 3.25 -2.00 319.54 0.00e+00 7.695812e-04 2.595104e-04 2.952390e-04 -6.000000e+00 4.127014e-03 287.49 -2.00 20.00 -2.00 318.77 0.00e+00 3.976 0.001 302.00 328.00 3 3.0128e+00 2.4834e-03 4.5107e-02 -6.0000e+00 2.2404e-01 -9.4181e-03 2.9427e-03 2.3152e-02 -6.0000e+00 2.4187e-01 -9.2007e-03 2.2563e-03 1.1320e-02 -6.0000e+00 1.4433e-01 -4.0673e-03 1.1516e-03 3.3548e-03 -6.0000e+00 5.9605e-02 3.2028e-04 -8.0032e-05 5.3639e-05 4.7213e-05 -6.0000e+00 5.0832e-03 2.6564e-02 -7.5652e-05 11 8 0 10 0 0 97.83 27.86 0.38 0.02656 0.02596 93 9 1 5 0 587.360 36.00 20.00 27.86 27.75 0.0 946.24 -24066 -24882 -11313 44633 -85281 -66677 -51589 -30543 6616 -34241 35968 -37289 -7175 33258 7356 -8679 -5054 27256 15063 12995 20508 -4317 13689 4573 -3181 -14875 -6869 11 -8594 923 -5954 387 -6920 2061 -7795 20701 -13252 -1864 -100 805 -1883 2035 3703 -2313 -964 -1053 -3541 4078 46 -112 1951 4703 466 3754 -397 -146 206 752 -16 1107 107 1729 4050 340 -858 -527 1642 1123 -276 1294 675 632 -483 94 565 -87 524 -2532 -301 -1104 -1522 -950 -2681 -1412 -436 -443 -253 78 875 649 -319 -54 51 164 845 1191 509 464 -106 -522 -409 -726 172 94 247 -1397 -1029 -107 -112 484 244 88 -7 302 -213 325 322 -85 193 -81 -72 -388 37 776 -69 469 203 496 1002 -248 -115 -417 -141 -26 -25 -43 -343 350 416 27 -167 -298 -354 -368 -422 -173 385 -2648 -1757 -1266 -675 111 -939 534 -1310 -221 816 274 -431 -267 1127 748 691 1047 -292 815 319 -254 -1383 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