File name: Pandora252s1_BoulderCO-NCAR_20250813_L2Fit_fout2c3d20230118p1-8.txt File generation date: 20250814T071339.1Z 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_20250813_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: 20250813 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 20250813T125756.8Z 9356.540241 207 1 54.48 2 82.22 77.59 47.11 237.39 0.00 1 0.00 1 0 17 6.437e-01 1.266e-02 2.257e-01 4.229e-03 7.988473e-01 2.380236e-03 8.636707e-03 -6.000000e+00 3.845484e-01 230.68 -2.00 3.45 -2.00 321.37 0.00e+00 4.639590e-03 1.208230e-03 7.472208e-04 -6.000000e+00 1.757802e-02 282.42 -2.00 20.00 -2.00 320.85 0.00e+00 6.893 0.006 302.00 328.00 3 2.4666e+00 8.2229e-03 7.1450e-02 -6.0000e+00 9.6367e-01 2.5244e-01 1.1809e-02 4.4090e-02 -6.0000e+00 1.0431e+00 -3.8366e-01 1.2385e-02 2.3743e-02 -6.0000e+00 6.1779e-01 1.5160e-01 5.7784e-03 1.0158e-02 -6.0000e+00 2.6121e-01 6.6897e-05 -1.3295e-03 1.1697e-04 1.1242e-04 -6.0000e+00 1.8961e-02 5.4440e-02 -1.7130e-04 12 8 8 10 0 0 59.56 26.82 0.69 0.05444 0.04445 48 5 1 5 0 1134.820 35.50 20.00 26.82 22.22 10.5 973.70 -178008 -216163 -245195 -233489 -238342 -173873 -206074 -52655 900000 -175658 -219403 900000 221708 -69315 -28824 -38669 -87575 170659 -73740 -94072 62537 -28195 -93488 31915 -85507 -7837 -91747 -25177 25492 -6930 47341 -25927 -5761 22728 -5512 21183 1706 14148 -9526 36036 -4868 14174 22428 1584 3514 16995 1351 -2074 -880 5269 11072 10718 8869 18932 6430 4667 1027 975 10392 1376 1954 7672 6274 4162 3601 -1577 2965 782 7233 3208 2203 1727 -73 1909 2668 -4564 -3618 -3585 -2567 884 2042 724 -1167 1402 -1451 -1053 -1227 1999 1249 571 1500 -2549 -918 -1311 -831 1460 405 -378 -605 -1503 -1083 -742 1553 -392 -2599 -2137 -1379 -88 154 -648 -728 -325 -163 -598 926 1270 342 -142 -598 861 983 842 288 505 470 1102 1058 969 58 88 -192 9 151 -19 -363 -193 393 -255 50 150 -509 -652 900000 -1267 -2511 -3859 -3063 -3126 -1238 -2240 -217 900000 -1843 -4029 900000 914 -623 -238 -414 -1733 704 -1490 -2404 335 -384 -2621 276 -2538 -110 -2950 -415 273 -123 605 -823 -166 497 -157 489 56 496 -511 1411 -315 806 1220 108 242 1058 103 -174 -79 500 1123 1219 1130 2349 952 727 167 155 1465 216 330 1398 1327 985 877 -406 757 224 2221 1148 845 667 -27 642 802 -1370 -1084 -1194 -1007 364 966 389 -690 862 -978 -745 -900 1426 874 380 933 -1597 -583 -934 -689 1275 415 -435 -722 -1735 -1131 -699 1383 -372 -2684 -2328 -1604 -111 203 -973 -1106 -508 -252 -895 1417 1930 544 -222 -977 1382 1520 1342 445 754 679 1541 1528 1568 100 173 -381 19 320 -44 -876 -479 982 -641 122 342 -1091 -1427 900000 SS 20250813T131604.4Z 9356.552829 212 1 54.59 2 78.82 80.40 49.97 241.82 0.00 1 0.00 1 0 25 2.302e-01 7.944e-03 2.098e-02 1.175e-03 6.069960e-01 6.284382e-04 6.885415e-03 -6.000000e+00 1.373597e-01 230.68 -2.00 3.45 -2.00 319.83 0.00e+00 2.525767e-03 1.974606e-04 8.203754e-04 -6.000000e+00 5.995642e-03 282.42 -2.00 20.00 -2.00 319.18 0.00e+00 4.981 0.002 302.00 328.00 3 1.9826e+00 1.8181e-03 5.2048e-02 -6.0000e+00 3.4348e-01 6.9471e-02 2.1837e-03 3.1576e-02 -6.0000e+00 3.7148e-01 -1.3073e-01 1.8575e-03 1.6095e-02 -6.0000e+00 2.2072e-01 4.7135e-02 9.5821e-04 5.2590e-03 -6.0000e+00 9.3191e-02 6.0002e-04 -8.8585e-04 3.3330e-05 6.1607e-05 -6.0000e+00 6.7739e-03 5.4548e-02 -1.4963e-04 11 8 0 10 0 0 47.49 26.79 0.43 0.05455 0.04789 177 18 1 5 0 308.370 35.50 20.00 26.79 24.32 10.6 988.37 -75201 -64849 -75374 -81862 -97697 -87952 -75917 -66520 -60973 -68368 -65261 -55391 -44353 -31450 -13991 -22518 -9989 -10272 -13595 -14270 496 -13677 -12099 -12124 -17200 -10178 -15527 -15409 -11135 -4993 -6525 -2156 -4801 -8189 -1714 -5282 726 6 -1033 3328 1807 2023 2128 2306 766 1981 1624 1785 1081 3129 3478 3550 3014 3389 2058 1518 611 486 1466 718 714 2820 2394 1493 1129 596 249 1181 1801 788 452 281 123 -428 -818 -1534 -1798 -1269 -1302 -1124 -1610 -2060 -1799 -760 -737 -479 159 478 293 259 299 -102 -81 -25 -148 344 425 -189 -501 -623 -765 -10 577 -854 -1437 -1067 -684 81 505 231 75 31 36 181 564 914 711 367 -174 -200 183 430 217 346 362 318 1209 624 -74 -54 -332 -164 97 -116 -303 -93 206 -238 -278 -53 -67 -227 900000 -1155 -988 -1287 -1397 -1869 -1592 -1366 -1235 -1174 -1504 -1525 -1415 -1286 -1005 -454 -911 -395 -444 -645 -708 21 -702 -656 -713 -1131 -641 -1018 -989 -712 -342 -537 -197 -493 -871 -168 -569 86 1 -165 583 350 414 449 495 170 443 374 425 274 850 1049 1081 1002 1198 771 591 242 189 555 279 299 1298 1142 768 582 302 128 647 1034 510 312 195 82 -267 -498 -867 -1001 -757 -836 -786 -1295 -1727 -1612 -719 -700 -480 164 494 296 247 282 -92 -73 -23 -155 391 521 -243 -662 -789 -934 -12 661 -990 -1785 -1325 -901 109 750 362 120 50 57 282 835 1333 1076 563 -280 -326 290 686 334 512 540 459 1758 952 -122 -93 -592 -307 183 -226 -624 -191 427 -497 -566 -105 -131 -431 900000 SS 20250813T132230.2Z 9356.557294 215 1 54.53 2 77.60 81.40 51.02 243.32 0.00 1 0.00 1 0 25 1.506e-01 7.393e-03 1.148e-02 8.599e-04 5.588625e-01 4.558842e-04 6.362210e-03 -6.000000e+00 8.984384e-02 230.68 -2.00 3.45 -2.00 319.39 0.00e+00 2.119339e-03 1.222562e-04 5.613506e-04 -6.000000e+00 3.921600e-03 282.42 -2.00 20.00 -2.00 318.70 0.00e+00 4.529 0.002 302.00 328.00 3 1.8158e+00 1.2858e-03 4.7455e-02 -6.0000e+00 2.2466e-01 4.7951e-02 1.5037e-03 2.8843e-02 -6.0000e+00 2.4298e-01 -1.0113e-01 1.1800e-03 1.4441e-02 -6.0000e+00 1.4436e-01 3.6147e-02 6.1725e-04 4.5309e-03 -6.0000e+00 6.0955e-02 1.0680e-03 -8.8547e-04 2.4777e-05 5.1646e-05 -6.0000e+00 4.4306e-03 5.4556e-02 -1.4822e-04 11 8 0 10 0 0 56.34 26.80 0.37 0.05456 0.04790 244 24 1 5 0 223.440 35.50 20.00 26.80 25.11 10.6 992.91 -41926 -46502 -47235 -61368 -60257 -55883 -57585 -47061 -39047 -39249 -48369 -31037 -28227 -17905 -10939 -8698 -9083 -4021 -5837 -7999 -719 -4921 -4385 -4483 -7153 -6135 -10385 -7724 -3567 -4288 -2124 -404 -2811 -4672 -3030 -4577 -546 638 17 1509 191 435 1053 2221 1761 1475 1374 781 1181 2077 2525 2476 2312 2361 1559 1058 603 362 825 1032 1713 2399 2195 1282 759 654 167 893 1059 510 175 -46 -14 -583 -1100 -1040 -1387 -1248 -1191 -1383 -1677 -1990 -1850 -972 -828 -230 221 178 294 274 557 75 159 260 -83 414 436 -253 -377 -558 -909 -88 481 -709 -1343 -1034 -514 -17 515 244 -31 47 84 285 531 987 687 339 -130 -243 195 392 282 393 209 277 1372 573 -92 -237 -302 -126 213 -66 -255 -81 167 -181 -336 -43 -219 -218 900000 -798 -1014 -1042 -1456 -1349 -1246 -1463 -1219 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