File name: Pandora51s1_OldFieldNY_20241204_L2Fit_fout2c5d20211018p1-8.txt File generation date: 20241205T055333.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 51 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora51_OF_v5d20190801.txt Instrument calibration file used: Pandora51s1_CF_v5d20211018.txt Level 1 file used: Pandora51s1_OldFieldNY_20241204_L1_smca1c5d20211018p1-8.txt Full location name: Flax Pond NYSDEC (USEPA AQS ID 36-103-0044) Short location name: OldFieldNY Country of location: USA Location latitude [deg]: 40.9635 Location longitude [deg]: -73.1402 Location altitude [m]: 3 Local noon date: 20241204 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: Modification of session 3 - Full Lab Cal on 1.8 for HCHO First and last pixel inside fitting window: 257 399 Nominal wavelengths inside fitting window [nm]: 305.1342 305.2748 305.4155 305.5562 305.6968 305.8375 305.9781 306.1187 306.2593 306.3999 306.5405 306.6810 306.8216 306.9621 307.1027 307.2432 307.3837 307.5242 307.6647 307.8052 307.9457 308.0861 308.2266 308.3670 308.5074 308.6478 308.7882 308.9286 309.0690 309.2094 309.3497 309.4901 309.6304 309.7707 309.9110 310.0513 310.1916 310.3319 310.4722 310.6124 310.7527 310.8929 311.0331 311.1733 311.3135 311.4537 311.5939 311.7340 311.8742 312.0143 312.1545 312.2946 312.4347 312.5748 312.7149 312.8549 312.9950 313.1350 313.2751 313.4151 313.5551 313.6951 313.8351 313.9751 314.1151 314.2550 314.3950 314.5349 314.6748 314.8147 314.9546 315.0945 315.2344 315.3743 315.5141 315.6540 315.7938 315.9336 316.0734 316.2132 316.3530 316.4928 316.6326 316.7723 316.9120 317.0518 317.1915 317.3312 317.4709 317.6106 317.7503 317.8899 318.0296 318.1692 318.3088 318.4484 318.5880 318.7276 318.8672 319.0068 319.1463 319.2859 319.4254 319.5649 319.7044 319.8439 319.9834 320.1229 320.2624 320.4018 320.5413 320.6807 320.8201 320.9595 321.0989 321.2383 321.3777 321.5170 321.6564 321.7957 321.9351 322.0744 322.2137 322.3530 322.4922 322.6315 322.7708 322.9100 323.0492 323.1885 323.3277 323.4669 323.6061 323.7452 323.8844 324.0235 324.1627 324.3018 324.4409 324.5800 324.7191 324.8582 324.9973 --------------------------------------------------------------------------------------- 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 20241204T131849.0Z 9104.554734 77 1 48.00 2 79.05 132.90 110.66 108.29 0.00 1 0.00 1 0 25 5.561e-01 1.986e-02 3.626e-01 1.357e-02 7.097337e-01 7.944131e-03 8.245665e-03 -6.000000e+00 3.371866e-01 222.94 -2.00 3.51 -2.00 321.42 0.00e+00 1.512233e-02 3.858365e-03 1.245005e-03 -6.000000e+00 1.786392e-02 278.29 -2.00 20.00 -2.00 320.94 0.00e+00 5.077 0.002 302.00 328.00 3 3.8825e+00 2.6851e-02 6.5286e-02 -6.0000e+00 8.3212e-01 3.8348e-01 3.6400e-02 4.6420e-02 -6.0000e+00 9.0841e-01 -4.1225e-01 3.6851e-02 2.3107e-02 -6.0000e+00 5.3214e-01 1.6239e-01 1.7627e-02 1.7726e-02 -6.0000e+00 2.3325e-01 2.8657e-05 -2.7125e-03 4.2361e-04 1.9891e-04 -6.0000e+00 1.7894e-02 1.4492e-02 -9.4897e-05 12 8 8 10 0 0 99.89 22.18 0.62 0.01449 -0.00589 16 4 1 5 0 2998.870 26.83 20.00 22.18 3.06 20.8 875.48 900000 900000 900000 -236669 900000 -245166 900000 900000 -96829 900000 -175245 900000 900000 14399 -58882 -26842 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1344 675 2268 2287 1181 1794 -945 1536 3038 2245 -899 990 597 1080 -1055 -385 570 526 1305 -1167 -1167 106 -1245 -2253 -234 -3852 1532 932 -1067 333 731 -679 -1853 1200 1292 -2335 -1715 -1471 1191 458 347 -1619 -1700 -1826 -3951 1023 -1653 174 -1701 -1387 -454 1390 768 590 1842 254 1968 -2414 2199 921 1790 921 1833 2581 -366 3980 -1912 760 2063 837 -303 -724 2322 -2960 -321 1710 -3195 -330 -2983 1896 900000 SS 20241204T132414.1Z 9104.558497 80 1 48.44 2 78.31 133.92 109.72 109.03 0.00 1 0.00 1 0 25 4.035e-01 8.325e-03 2.818e-01 5.894e-03 6.739742e-01 3.368356e-03 7.737219e-03 -6.000000e+00 2.436556e-01 222.94 -2.00 3.51 -2.00 321.27 0.00e+00 3.735679e-03 1.621923e-03 2.772892e-03 -6.000000e+00 1.130589e-02 278.29 -2.00 20.00 -2.00 320.78 0.00e+00 4.780 0.002 302.00 328.00 3 3.0413e+00 1.1270e-02 6.1928e-02 -6.0000e+00 5.9909e-01 6.7997e-02 1.5955e-02 4.3609e-02 -6.0000e+00 6.5207e-01 -1.9633e-02 1.7157e-02 2.0161e-02 -6.0000e+00 3.8417e-01 -9.8046e-03 8.1696e-03 8.5763e-03 -6.0000e+00 1.6576e-01 1.0182e-04 -1.1986e-03 1.8518e-04 8.8946e-05 -6.0000e+00 1.2764e-02 1.3525e-02 -7.9152e-05 11 8 0 10 0 0 96.37 22.19 0.37 0.01353 0.00452 45 10 1 5 0 1076.210 26.83 20.00 22.19 3.12 20.7 876.06 900000 -58062 900000 -118732 900000 900000 203953 900000 -21026 -160826 -127539 -66435 -100110 900000 -56180 -31981 -46541 -67892 48212 -45550 121430 31130 230878 -26897 -19944 -7191 -13938 22713 -60425 22471 -37591 1194 -8027 20376 8343 -13953 16320 17198 3957 -81 -4845 -6241 -1672 8199 7652 13769 3553 -1564 -4957 -343 6520 3273 7605 872 7867 4663 3197 4159 -1950 -1147 -5240 1628 -984 -40 -1839 1208 7239 1298 128 -1172 1044 143 -1465 -678 -483 519 -3092 5183 -529 470 670 -874 -1514 -1334 308 -867 -517 -1340 116 -3 -282 1400 36 1315 396 429 824 102 -330 -285 -116 1505 894 54 -654 -1339 -1206 122 -460 619 -1078 -228 -486 328 999 1346 1114 -122 -437 -941 -463 -40 186 73 256 680 1043 1814 -199 -513 -333 147 640 -577 17 -71 -253 -28 -544 -108 85 661 900000 900000 -333 900000 -682 900000 900000 1171 900000 -121 -1957 -1259 -442 -1218 900000 -709 -374 -716 -1379 357 -835 697 305 1325 -531 -394 -130 -272 308 -1921 377 -1336 34 -280 549 252 -561 558 706 216 -5 -372 -520 -139 636 613 1071 318 -155 -526 -38 763 440 1074 142 1260 799 563 715 -351 -208 -1060 346 -243 -11 -510 323 1862 380 41 -428 399 56 -563 -249 -161 157 -951 1574 -197 204 323 -479 -903 -846 205 -615 -379 -1003 84 -2 -182 846 22 856 297 371 817 114 -372 -323 -121 1403 799 50 -648 -1410 -1353 147 -596 881 -1692 -367 -773 497 1434 1885 1597 -185 -698 -1527 -732 -60 281 105 357 914 1406 2622 -319 -918 -645 302 1378 -1295 41 -175 -635 -70 -1350 -254 195 1433 900000 SS 20241204T132939.9Z 9104.562268 83 1 49.05 2 77.58 134.97 108.79 109.77 0.00 1 0.00 1 0 25 2.965e-01 7.529e-03 2.380e-01 3.922e-03 6.309334e-01 2.170642e-03 7.364196e-03 -6.000000e+00 1.755419e-01 222.94 -2.00 3.51 -2.00 321.03 0.00e+00 4.292811e-03 9.875503e-04 2.885720e-03 -6.000000e+00 7.817417e-03 278.29 -2.00 20.00 -2.00 320.52 0.00e+00 4.519 0.002 302.00 328.00 3 2.7750e+00 7.0356e-03 5.8542e-02 -6.0000e+00 4.3159e-01 7.6856e-02 9.5355e-03 4.1476e-02 -6.0000e+00 4.6854e-01 -4.4919e-02 9.8918e-03 1.8219e-02 -6.0000e+00 2.7958e-01 4.1963e-03 4.8004e-03 8.3287e-03 -6.0000e+00 1.2080e-01 1.7794e-04 -1.2930e-03 1.2119e-04 7.9108e-05 -6.0000e+00 9.1509e-03 1.3114e-02 -1.3548e-04 11 8 0 10 0 0 99.36 22.19 0.34 0.01311 0.00340 55 12 1 5 0 891.650 26.83 20.00 22.19 3.28 20.8 877.12 900000 -97768 23899 214101 -98229 -114746 -31527 -34057 -67039 -54972 -18084 -18782 116480 -42828 34571 -76804 -7337 -14285 28867 -12943 -25374 3459 -32694 11016 -33539 29322 10326 1616 -13514 3652 6906 -7398 6564 -6046 3986 6205 -3990 -10875 -1695 -1628 -6603 -1567 -8024 -1017 -4012 5844 5834 -858 -839 -4155 6711 873 2807 1351 258 2281 -2526 1087 1394 853 2783 1068 3467 1336 976 -721 2407 2309 2235 59 -212 -75 -759 1701 -991 457 1032 428 126 -1023 -1115 -1610 -1359 -1407 -439 -184 -410 9 -141 1304 706 1390 1733 1170 692 339 1072 -274 85 -683 46 67 891 418 -1373 -1435 -1135 -257 -430 -428 -718 -998 -179 286 1215 965 1306 757 -358 -1023 -656 63 58 185 -111 795 1520 1764 221 -458 88 167 413 -162 -440 -366 -191 47 -182 -165 -58 344 900000 900000 -716 91 819 -689 -987 -131 -163 -491 -385 -98 -126 445 -600 275 -2010 -117 -248 377 -247 -560 64 -856 218 -1016 533 227 39 -366 96 209 -302 259 -276 163 263 -215 -755 -129 -143 -624 -150 -857 -104 -433 633 652 -100 -104 -580 937 143 491 257 52 467 -548 224 282 176 605 264 943 402 300 -222 730 747 811 25 -94 -34 -333 677 -368 154 337 150 51 -489 -614 -994 -902 -995 -328 -145 -335 8 -114 987 503 932 1151 836 563 320 1149 -308 100 -778 52 69 863 420 -1490 -1646 -1383 -336 -579 -638 -1157 -1659 -291 441 1769 1377 1898 1159 -580 -1696 -1064 98 87 266 -165 1134 2156 2686 357 -823 170 341 888 -373 -1005 -866 -460 114 -434 -400 -133 748 900000 SS 20241204T133517.2Z 9104.566171 86 1 48.94 2 76.84 136.06 107.83 110.54 0.00 1 0.00 1 0 25 2.547e-01 6.610e-03 1.593e-01 2.299e-03 6.077954e-01 1.266235e-03 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