File name: Pandora252s1_BoulderCO-NCAR_20250731_L2Fit_fout2c3d20230118p1-8.txt File generation date: 20250801T071431.2Z 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_20250731_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: 20250731 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 20250731T131127.4Z 9343.549623 75 1 53.85 2 77.71 76.56 150.08 35.00 0.00 1 0.00 1 0 17 2.662e-01 1.556e-02 9.530e-02 5.223e-03 5.709504e-01 2.827206e-03 6.362339e-03 -6.000000e+00 1.593205e-01 231.13 -2.00 3.45 -2.00 320.36 0.00e+00 5.148636e-03 1.010844e-03 3.265282e-04 -6.000000e+00 7.099218e-03 282.26 -2.00 20.00 -2.00 319.74 0.00e+00 4.566 0.002 302.00 328.00 3 4.8123e+00 8.4549e-03 4.8351e-02 -6.0000e+00 3.9966e-01 1.4882e-01 1.0382e-02 3.0465e-02 -6.0000e+00 4.3237e-01 -2.6149e-01 8.9412e-03 1.5881e-02 -6.0000e+00 2.5599e-01 1.0709e-01 4.5044e-03 7.9522e-03 -6.0000e+00 1.0797e-01 5.0123e-05 -3.4067e-04 1.5550e-04 8.0146e-05 -6.0000e+00 7.8335e-03 5.2511e-02 -1.4847e-04 12 9 8 11 8 0 97.32 26.81 0.70 0.05251 0.04995 16 2 1 5 0 3365.220 35.50 19.99 26.81 22.37 10.5 975.66 -62555 -87365 -22772 -41922 -136567 -103402 -80234 -65923 900000 -75227 -137165 29428 -53154 -44226 879 -24469 -31142 11715 -5772 1627 29743 27480 -33197 -11492 -17463 -4917 -35091 -4367 14704 -20309 31452 -11648 -24130 -4906 20240 -6743 -2899 17423 9609 11474 -159 4817 15720 1035 2114 2876 1065 377 -1114 7491 15809 3975 2694 14869 4810 11162 -1335 -1288 6931 2123 7181 -635 4966 2475 -3006 190 1081 2642 4157 -33 -769 1283 -752 2094 3320 -6002 -4531 214 -3217 -782 -354 -2236 -2935 -1525 971 -1531 -429 2 824 -768 905 -2185 546 -741 -771 570 -7 221 176 -1915 495 -5 1989 -765 -1740 -1230 -768 521 506 -316 -1564 -82 -374 -547 2108 238 551 -165 -1900 995 1196 1125 320 1043 583 1228 989 1316 -650 502 67 6 456 -304 276 10 535 -301 -430 -178 -824 -770 900000 -1042 -2022 -274 -563 -4425 -2441 -1634 -1410 900000 -1954 -7124 345 -1786 -1689 26 -1034 -1538 406 -250 67 924 882 -2045 -603 -1014 -255 -2412 -216 621 -1375 1489 -973 -2470 -410 1278 -587 -279 1641 1160 1537 -26 782 2361 183 376 516 198 73 -228 1522 3260 1008 745 3846 1426 3177 -431 -407 1987 652 2260 -242 1985 1076 -1369 81 460 1184 1884 -17 -430 706 -405 1016 1582 -2885 -2102 102 -1658 -458 -235 -1666 -2353 -1284 850 -1453 -417 2 776 -692 747 -1757 426 -633 -749 576 -8 279 227 -2413 557 -5 1997 -833 -2038 -1513 -1000 724 715 -495 -2624 -137 -606 -840 3001 341 817 -260 -3204 1650 1937 1760 487 1513 884 1787 1465 1953 -1095 916 121 12 908 -649 575 21 1169 -665 -927 -389 -1719 -1549 900000 SS 20250731T131707.0Z 9343.553554 78 1 53.67 2 76.66 77.41 149.49 37.34 0.00 1 0.00 1 0 17 2.225e-01 1.172e-02 6.023e-02 3.878e-03 5.312970e-01 2.086969e-03 5.980161e-03 -6.000000e+00 1.331965e-01 231.13 -2.00 3.45 -2.00 320.03 0.00e+00 1.918417e-03 6.810917e-04 4.448189e-04 -6.000000e+00 5.934094e-03 282.26 -2.00 20.00 -2.00 319.39 0.00e+00 4.229 0.001 302.00 328.00 3 4.7016e+00 6.1004e-03 4.4736e-02 -6.0000e+00 3.3413e-01 4.5345e-02 7.3681e-03 2.7647e-02 -6.0000e+00 3.6147e-01 -1.3618e-01 6.1919e-03 1.4003e-02 -6.0000e+00 2.1402e-01 5.3149e-02 3.1665e-03 4.6041e-03 -6.0000e+00 9.0267e-02 7.8799e-05 -5.7982e-04 1.1644e-04 5.1381e-05 -6.0000e+00 6.5485e-03 5.2570e-02 -1.3203e-04 12 8 8 10 0 0 98.81 26.81 0.72 0.05257 0.04821 23 2 1 5 0 2333.360 35.50 20.00 26.81 23.00 10.5 978.91 -52092 -48167 -87595 -71307 -74857 -57851 -107661 -39116 900000 -74252 -105669 -35082 -37252 -41254 17503 -32225 4453 17916 -22736 1002 34968 3212 -5401 9161 -18866 3166 -20935 -1590 9905 -14355 2999 -1828 -9824 -7903 8427 -5705 4805 2251 -6270 7791 -3585 1946 6514 1149 322 6304 2247 -1321 -727 4555 5645 2643 3215 6004 4247 3798 -1294 1365 3708 434 4224 2863 2412 4031 -2297 331 -649 158 3807 749 -999 777 -837 -338 3113 -2564 -2700 901 -2235 -79 -1802 -1838 -2788 -771 -50 -558 -672 1309 436 -1128 669 -686 1307 -1217 -519 450 229 -282 -162 -1214 -567 173 1548 7 -1696 -1396 -1333 564 70 142 -473 -31 -286 -356 1469 803 774 -175 -1302 154 829 1374 -70 739 547 582 1080 680 81 127 -475 274 562 77 -271 61 233 -210 -426 -183 -552 -499 900000 -824 -795 -2138 -1510 -1557 -1050 -3582 -739 900000 -2274 -4754 -915 -1225 -1731 483 -1645 172 650 -1307 47 1177 152 -296 468 -1348 186 -1528 -93 524 -1075 219 -160 -1007 -789 698 -576 505 294 -1064 1308 -731 394 1298 245 70 1306 491 -306 -175 1121 1515 800 1043 2009 1369 1266 -457 461 1325 148 1491 1139 1067 1855 -1112 150 -298 77 2018 456 -656 506 -534 -200 1608 -1285 -1317 450 -1320 -53 -1280 -1438 -2354 -680 -47 -555 -694 1336 438 -1084 587 -575 1063 -1089 -521 472 273 -369 -216 -1565 -666 186 1622 7 -2067 -1790 -1813 751 103 228 -752 -50 -472 -555 2136 1160 1156 -279 -2062 244 1375 2192 -109 1100 782 803 1495 1023 136 216 -864 518 1044 153 -569 133 512 -438 -925 -379 -1088 -950 900000 SS 20250731T134545.5Z 9343.573443 87 1 54.81 2 71.27 81.74 146.00 48.02 0.00 1 0.00 1 0 17 4.041e-02 6.433e-03 1.104e-02 1.783e-03 3.979551e-01 9.385487e-04 4.593781e-03 -6.000000e+00 2.416089e-02 231.12 -2.00 3.45 -2.00 318.44 0.00e+00 1.372794e-03 1.840489e-04 1.661935e-04 -6.000000e+00 1.051843e-03 282.26 -2.00 20.00 -2.00 317.71 0.00e+00 3.077 0.000 302.00 328.00 3 4.5114e+00 2.5539e-03 3.2855e-02 -6.0000e+00 6.0487e-02 2.6847e-03 2.8924e-03 2.0458e-02 -6.0000e+00 6.5391e-02 -5.2863e-02 1.9236e-03 1.0034e-02 -6.0000e+00 3.8833e-02 1.6603e-02 9.9380e-04 3.0232e-03 -6.0000e+00 1.6384e-02 2.7920e-04 -5.6219e-04 5.3961e-05 3.3712e-05 -6.0000e+00 1.1892e-03 5.2945e-02 -1.2184e-04 11 8 0 10 0 0 89.39 26.81 0.43 0.05295 0.04872 41 4 1 5 0 1336.620 35.50 20.00 26.81 24.23 10.5 986.71 -9535 -10534 -5403 -14400 -24708 -7941 -16047 -1770 -2627 -14211 -18047 -1179 -7633 -522 2604 -5357 -3499 5611 -267 492 4622 2290 815 -486 -3390 2018 -3310 -2393 1799 72 -1570 -736 -2272 -4464 -2962 -774 1157 104 -1092 444 -535 -386 189 -291 567 564 396 -478 319 1647 1791 1531 1025 1430 753 612 731 49 810 1475 1774 1227 1196 706 -368 319 197 562 1605 -51 -212 102 -37 -38 -454 -1267 -699 -81 -1182 -1041 -1492 -1896 -1833 -610 -484 -642 -225 289 242 51 198 150 691 663 244 477 513 10 -411 -702 -637 269 972 -410 -1473 -739 -590 -140 471 111 -125 -62 -29 79 803 704 704 313 -337 -329 116 340 265 281 450 707 1011 387 -109 -149 -318 -33 225 141 -250 47 74 -250 -544 137 -279 -267 900000 -462 -551 -265 -711 -1271 -355 -862 -93 -150 -939 -1292 -81 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