File name: Pandora252s1_BoulderCO-NCAR_20250912_L2Fit_fout2c3d20230118p1-8.txt File generation date: 20250913T070035.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Ivan Ortega Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 252 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora252_OF_v3d20221123.txt Instrument calibration file used: Pandora252s1_CF_v3d20230118.txt Level 1 file used: Pandora252s1_BoulderCO-NCAR_20250912_L1_smca1c3d20230118p1-8.txt Full location name: National Center for Atmospheric Research Short location name: BoulderCO-NCAR Country of location: United States Location latitude [deg]: 40.0375 Location longitude [deg]: -105.2420 Location altitude [m]: 1616 Local noon date: 20250912 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: Updated OoB with correct parameters based on session 2 First and last pixel inside fitting window: 192 334 Nominal wavelengths inside fitting window [nm]: 305.0965 305.2374 305.3783 305.5193 305.6602 305.8010 305.9419 306.0828 306.2237 306.3645 306.5053 306.6462 306.7870 306.9278 307.0686 307.2094 307.3501 307.4909 307.6316 307.7724 307.9131 308.0538 308.1945 308.3352 308.4759 308.6166 308.7572 308.8979 309.0385 309.1792 309.3198 309.4604 309.6010 309.7416 309.8821 310.0227 310.1633 310.3038 310.4443 310.5848 310.7253 310.8658 311.0063 311.1468 311.2873 311.4277 311.5682 311.7086 311.8490 311.9894 312.1298 312.2702 312.4106 312.5509 312.6913 312.8316 312.9719 313.1123 313.2526 313.3929 313.5332 313.6734 313.8137 313.9539 314.0942 314.2344 314.3746 314.5148 314.6550 314.7952 314.9354 315.0755 315.2157 315.3558 315.4960 315.6361 315.7762 315.9163 316.0564 316.1964 316.3365 316.4765 316.6166 316.7566 316.8966 317.0366 317.1766 317.3166 317.4566 317.5965 317.7365 317.8764 318.0164 318.1563 318.2962 318.4361 318.5759 318.7158 318.8557 318.9955 319.1353 319.2752 319.4150 319.5548 319.6946 319.8344 319.9741 320.1139 320.2536 320.3934 320.5331 320.6728 320.8125 320.9522 321.0918 321.2315 321.3712 321.5108 321.6504 321.7901 321.9297 322.0693 322.2088 322.3484 322.4880 322.6275 322.7671 322.9066 323.0461 323.1856 323.3251 323.4646 323.6041 323.7435 323.8830 324.0224 324.1618 324.3012 324.4406 324.5800 324.7194 324.8588 324.9981 --------------------------------------------------------------------------------------- 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 20250912T133321.8Z 9386.564836 235 1 4.59 2 80.54 92.81 36.64 254.88 0.00 1 0.00 1 0 17 3.435e-01 1.399e-02 1.619e-01 7.283e-03 6.498609e-01 3.833386e-03 7.325285e-03 -6.000000e+00 2.014187e-01 228.49 -2.00 3.45 -2.00 320.32 0.00e+00 2.805298e-03 1.390299e-03 1.925908e-03 -6.000000e+00 8.804403e-03 280.06 -2.00 20.00 -2.00 319.71 0.00e+00 5.803 0.003 302.00 328.00 3 2.2221e+00 1.1423e-02 5.8676e-02 -6.0000e+00 5.0128e-01 1.5637e-01 1.4145e-02 3.4253e-02 -6.0000e+00 5.4491e-01 -2.5568e-01 1.2574e-02 1.7926e-02 -6.0000e+00 3.2406e-01 1.1032e-01 6.3227e-03 5.7941e-03 -6.0000e+00 1.3473e-01 2.3905e-04 -3.7954e-04 2.0368e-04 7.9633e-05 -6.0000e+00 1.0056e-02 -1.1516e-02 -9.0378e-05 12 9 9 12 1 1 67.63 26.83 0.39 -0.01152 -0.01437 5 7 1 5 0 764.290 35.25 20.00 26.83 27.80 10.4 1008.05 -93228 -85043 -112928 -98605 -125082 -150214 -80886 -87237 21056 -143961 -124772 -100486 -84855 1770 -27272 -16266 50402 -11881 -53171 8053 14262 -766 -36485 -41768 -19094 -25878 -21989 -20567 -23896 -22223 -15791 -13466 -10331 -12347 -7427 -13680 16291 -11507 11108 12417 9346 1769 16809 10191 7389 4099 7555 11469 838 4802 -1989 9508 8612 5525 2695 6114 4867 1380 449 3934 4361 7322 4159 1258 2502 204 863 585 477 2614 1467 -252 -720 -989 -1482 -2550 -1555 -3207 -2383 -1777 -978 -47 -1001 -663 -1287 -691 530 836 -428 -499 -1572 -240 -980 -387 -1465 -177 -175 761 -654 -1456 -172 -551 816 -255 -2653 -1570 -481 -631 640 4 884 643 -40 -300 387 -34 1085 146 -527 13 832 1149 162 245 1118 628 978 1925 99 -261 197 -464 69 -665 -182 -228 333 347 171 -73 -553 -182 -978 -1324 -1269 -2326 -1681 -2577 -3948 -1149 -1487 150 -5113 -3900 -2855 -2592 29 -736 -462 823 -397 -2870 246 415 -26 -1866 -2433 -949 -1434 -1171 -1052 -1273 -1279 -1009 -995 -837 -1061 -591 -1176 1157 -1291 1207 1561 1348 294 2507 1658 1254 734 1336 2020 157 933 -460 2179 2180 1555 823 1875 1540 447 143 1207 1397 2525 1673 526 1069 88 367 262 239 1454 827 -149 -418 -585 -802 -1265 -728 -1587 -1328 -1072 -680 -34 -794 -559 -1165 -616 489 784 -402 -448 -1431 -203 -818 -339 -1364 -189 -201 918 -852 -1885 -204 -633 871 -281 -3202 -1867 -600 -850 888 7 1409 1016 -63 -481 585 -50 1612 230 -836 21 1386 1838 253 368 1690 920 1411 2935 164 -459 357 -897 133 -1319 -382 -498 708 745 363 -155 -1108 -361 -1930 SS 20250912T134228.3Z 9386.571161 240 1 54.64 2 78.80 94.30 38.27 256.87 0.00 1 0.00 1 0 17 1.723e-01 7.796e-03 8.594e-03 6.136e-04 5.782085e-01 3.184005e-04 6.500675e-03 -6.000000e+00 1.010132e-01 228.49 -2.00 3.45 -2.00 319.44 0.00e+00 2.147596e-03 8.756642e-05 6.175759e-04 -6.000000e+00 4.415883e-03 280.06 -2.00 20.00 -2.00 318.79 0.00e+00 4.976 0.002 302.00 328.00 3 8.0467e-01 8.9561e-04 5.0564e-02 -6.0000e+00 2.5139e-01 7.5283e-02 1.0505e-03 2.9361e-02 -6.0000e+00 2.7329e-01 -1.0211e-01 8.3337e-04 1.4738e-02 -6.0000e+00 1.6253e-01 3.6720e-02 4.3441e-04 4.7337e-03 -6.0000e+00 6.7556e-02 2.0252e-03 -4.3571e-04 1.7378e-05 5.3324e-05 -6.0000e+00 5.0438e-03 -9.0807e-03 -3.5741e-05 11 8 0 10 0 0 7.74 26.82 0.34 -0.00908 -0.01235 467 46 1 5 0 116.990 35.50 20.00 26.82 28.57 10.7 1015.69 -58266 -53299 -54175 -57611 -64509 -63193 -60277 -56306 -47627 -54652 -55128 -35697 -33490 -25745 -15353 -15726 -11040 -5753 -6471 -7217 -6554 -8418 -6588 -7490 -8478 -6984 -8507 -11042 -8058 -6537 -5017 -1641 -1182 -3118 -4108 -4242 -2849 -666 312 895 672 931 1718 1824 2281 2159 1498 1472 1365 2172 2502 2557 2966 2874 2191 1969 1281 447 795 810 1421 2166 2314 1809 784 750 485 560 1287 816 516 169 -152 -447 -675 -988 -1347 -1648 -1328 -1596 -1482 -1873 -2172 -1261 -791 -546 -240 75 25 87 525 208 183 215 -62 46 405 184 -377 -533 -630 -547 441 -98 -1257 -1126 -637 -436 357 439 141 7 52 88 301 787 731 557 94 -308 -61 425 398 360 520 281 1016 1091 145 -71 -149 -281 36 185 -216 -273 192 -13 -366 -152 -179 -300 -184 -1098 -1091 -1173 -1241 -1390 -1342 -1356 -1385 -1200 -1583 -1705 -1042 -1186 -1061 -699 -839 -627 -339 -412 -486 -448 -594 -481 -597 -735 -624 -773 -1002 -710 -614 -542 -200 -147 -411 -533 -560 -415 -114 64 197 165 243 464 502 635 613 435 440 426 719 842 952 1199 1162 938 878 586 205 355 361 660 1103 1232 1058 475 443 283 340 810 549 378 128 -114 -315 -463 -616 -798 -1006 -907 -1202 -1215 -1639 -1962 -1201 -763 -559 -256 77 27 90 526 195 167 204 -63 51 490 230 -500 -697 -798 -657 497 -115 -1513 -1431 -819 -599 512 645 216 11 81 136 455 1148 1083 837 149 -490 -96 666 602 545 753 407 1439 1572 227 -119 -259 -501 65 343 -414 -545 380 -27 -727 -297 -342 -563 -341 SS 20250912T134841.8Z 9386.575483 243 1 54.54 2 77.62 95.32 39.40 258.17 0.00 1 0.00 1 0 25 1.219e-01 7.026e-03 9.330e-03 7.734e-04 5.347204e-01 3.995571e-04 6.057520e-03 -6.000000e+00 7.142446e-02 228.48 -2.00 3.45 -2.00 319.23 0.00e+00 1.614088e-03 1.023445e-04 4.367910e-04 -6.000000e+00 3.123872e-03 280.06 -2.00 20.00 -2.00 318.56 0.00e+00 4.534 0.002 302.00 328.00 3 1.6362e+00 1.1129e-03 4.6318e-02 -6.0000e+00 1.7775e-01 6.0515e-02 1.2937e-03 2.7145e-02 -6.0000e+00 1.9326e-01 -7.9480e-02 9.8579e-04 1.3439e-02 -6.0000e+00 1.1493e-01 2.7644e-02 5.1525e-04 4.0196e-03 -6.0000e+00 4.7750e-02 1.3098e-03 -8.5887e-04 2.2389e-05 4.6609e-05 -6.0000e+00 3.5682e-03 -6.7915e-03 -6.8121e-05 11 8 0 10 0 0 99.99 26.82 0.34 -0.00679 -0.01325 322 32 1 5 0 169.370 35.50 20.00 26.82 29.37 10.6 1021.08 -47824 -33137 -42038 -42635 -49218 -37053 -44091 -43973 -27728 -37008 -36790 -20825 -26646 -18421 -7284 -6544 -4075 -3591 -4679 -5699 -1269 -3996 -4040 -4366 -4179 -4676 -8197 -7394 -6416 -4399 -3146 -859 -774 -1534 -3186 -3457 -1514 -321 -505 965 697 747 1628 228 2094 1315 863 791 572 1611 2447 2099 2485 2022 1734 1852 862 253 562 776 1172 2302 2300 1580 565 742 -35 376 1357 586 65 150 -277 -317 -476 -962 -1257 -1198 -1286 -1405 -1355 -1602 -2060 -1388 -917 -632 -50 87 239 271 574 133 123 327 168 265 499 175 -480 -531 -594 -497 364 -77 -1276 -1189 -573 -218 406 364 258 90 118 148 367 766 727 433 -35 -376 -157 344 278 294 535 191 927 957 197 -30 -171 -224 39 90 -285 -270 190 101 -314 -141 -183 -277 -158 -1129 -765 -1107 -1080 -1240 -824 -1147 -1300 -778 -1217 -1274 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