File name: Pandora55s1_QueensNY_20250226_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250227T051526.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.74 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250226_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20250226 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20250226T122548.2Z 9188.517919 63 1 50.60 2 81.22 109.30 77.54 129.74 0.00 1 0.00 1 0 25 6.988e-01 1.620e-02 2.341e-01 2.775e-03 8.411277e-01 1.578051e-03 9.405205e-03 -6.000000e+00 4.206389e-01 225.41 -2.00 3.51 -2.00 321.51 0.00e+00 6.898477e-03 8.096322e-04 4.639407e-03 -6.000000e+00 1.932921e-02 276.02 -2.00 20.00 -2.00 321.07 0.00e+00 6.197 0.004 302.00 328.00 3 6.2284e-01 5.4269e-03 8.1719e-02 -6.0000e+00 1.0450e+00 2.5512e-01 8.0717e-03 6.0967e-02 -6.0000e+00 1.1416e+00 -3.2838e-01 8.9330e-03 2.5461e-02 -6.0000e+00 6.7386e-01 1.3369e-01 4.1383e-03 1.1586e-02 -6.0000e+00 2.7903e-01 2.5564e-04 -1.7054e-03 7.8017e-05 1.1087e-04 -6.0000e+00 2.1621e-02 -1.6940e-04 0.0000e+00 12 8 8 10 0 0 41.09 21.58 0.34 -0.00017 -0.01298 122 23 1 5 0 414.670 26.32 20.00 21.58 12.32 36.7 1036.97 -270939 -296343 900000 -343906 900000 -102311 -93829 900000 139753 -185885 -244333 -209025 -202823 -3176 900000 121741 -132196 -125453 900000 900000 -87847 166624 34367 -79836 -30140 -55518 900000 -54269 -15230 -106745 -1478 25721 24140 -15004 55101 900000 -7156 -26392 24619 58459 -2675 40895 -9121 14603 -607 70102 -4415 32901 28311 31893 10260 12544 8873 29298 28826 10353 22802 9475 18768 4046 -647 14141 5593 -417 10689 1419 10220 1983 4575 7818 2423 4969 3680 -813 6065 991 3871 6558 1088 -2012 -166 3484 -216 -1386 -2621 -919 -3728 -1480 -2570 -544 -833 -97 -95 1261 -570 770 -1493 -769 -673 -791 -363 -861 776 1573 354 -1563 -963 -1859 -768 -166 -165 -1376 -361 -400 -591 422 698 1296 108 -4 -997 -67 722 1077 493 630 335 1788 1033 -437 733 971 906 474 481 -344 -75 118 -778 -679 -323 -53 -110 -290 -2563 -4484 900000 -9531 900000 -277 -254 900000 378 -1415 -3539 -2462 -2845 -9 900000 329 -2582 -2630 900000 900000 -1602 450 199 -1478 -373 -933 900000 -943 -185 -3322 -20 334 389 -398 785 900000 -187 -932 643 1333 -125 1415 -542 733 -36 2218 -291 1615 1544 1827 792 1069 879 2640 2836 1277 2624 1249 2247 541 -90 1809 866 -78 2028 311 2103 449 1078 2004 732 1585 1220 -275 1806 284 993 1590 295 -642 -61 1451 -105 -743 -1511 -551 -2405 -977 -1747 -361 -537 -59 -56 724 -353 531 -1204 -707 -691 -873 -404 -915 750 1404 317 -1473 -950 -1943 -847 -199 -219 -2013 -557 -629 -923 638 1027 1913 165 -7 -1631 -108 1119 1611 723 902 469 2441 1476 -691 1273 1829 1814 998 1060 -798 -181 288 -1923 -1677 -776 -122 -241 -617 SS 20250226T123908.1Z 9188.527177 68 1 50.52 2 78.85 111.63 75.65 132.21 0.00 1 0.00 1 0 25 3.800e-01 7.371e-03 7.473e-02 1.239e-03 7.024016e-01 6.654844e-04 8.010931e-03 -6.000000e+00 2.234597e-01 225.41 -2.00 3.51 -2.00 320.70 0.00e+00 3.488830e-03 2.738728e-04 1.844229e-03 -6.000000e+00 9.817895e-03 276.02 -2.00 20.00 -2.00 320.21 0.00e+00 4.994 0.002 302.00 328.00 3 4.9116e-01 2.0455e-03 6.2656e-02 -6.0000e+00 5.5293e-01 7.5591e-02 2.7233e-03 4.0095e-02 -6.0000e+00 6.0069e-01 -4.8850e-02 2.8336e-03 1.9425e-02 -6.0000e+00 3.5765e-01 9.1465e-03 1.3970e-03 7.3567e-03 -6.0000e+00 1.5073e-01 1.0513e-03 -1.2671e-03 3.4682e-05 7.5627e-05 -6.0000e+00 1.1333e-02 4.7848e-04 0.0000e+00 11 8 0 10 0 0 69.94 21.57 0.23 0.00048 -0.00904 261 49 1 5 0 193.530 26.32 20.01 21.57 13.26 36.8 1041.48 -195255 -129711 900000 -162973 -110280 -116738 -129827 28240 -72115 -108430 -111619 -106765 -95326 -79688 23028 -42500 -46633 -53519 16196 10770 -45743 -14239 -23643 -34173 -25209 -11864 11992 -14849 -25809 -28357 -12052 -5958 -2852 -8116 -1591 7416 -4959 -13717 1463 448 -5777 255 -4552 -497 -151 4998 -2334 4038 1814 4165 1522 2259 860 5002 4036 1222 3580 -158 2191 -319 1148 2755 2411 -240 1765 338 2345 918 1916 1795 496 868 -385 -298 -432 218 599 1303 626 -175 119 199 -1442 -1400 -1213 -1537 -1417 -870 -791 -524 -99 472 813 1607 892 1146 398 684 -304 -175 -324 -282 226 948 -227 -1258 -692 -938 -132 64 47 -681 -224 -186 79 699 825 995 286 -193 -977 -337 -28 -155 -114 144 228 1540 929 22 310 -4 463 217 228 -388 -107 170 -491 -679 -193 -6 60 407 -1994 -855 900000 -1754 -678 -744 -984 55 -396 -953 -1103 -1137 -1120 -1050 156 -630 -855 -1199 201 153 -1201 -280 -527 -908 -673 -300 249 -406 -791 -937 -388 -220 -122 -381 -73 336 -242 -834 93 35 -562 26 -527 -58 -18 585 -280 512 229 549 226 374 162 998 880 291 869 -41 547 -80 284 706 693 -75 599 122 827 330 722 760 225 427 -198 -150 -204 100 249 515 260 -83 62 122 -954 -1014 -937 -1268 -1165 -746 -693 -454 -88 388 629 1205 705 1016 388 726 -370 -217 -406 -350 252 1028 -248 -1385 -804 -1156 -163 87 68 -1048 -365 -306 127 1110 1262 1520 457 -310 -1635 -556 -45 -248 -176 214 326 2237 1338 35 538 -8 868 432 462 -843 -234 381 -1123 -1552 -426 -13 127 828 SS 20250226T124509.3Z 9188.531357 71 1 50.52 2 77.80 112.70 74.82 133.36 0.00 1 0.00 1 0 25 2.593e-01 6.553e-03 4.422e-02 9.425e-04 6.530866e-01 4.998561e-04 7.507390e-03 -6.000000e+00 1.524854e-01 225.41 -2.00 3.51 -2.00 320.37 0.00e+00 2.129473e-03 1.862974e-04 1.402142e-03 -6.000000e+00 6.621307e-03 276.02 -2.00 20.00 -2.00 319.85 0.00e+00 4.593 0.002 302.00 328.00 3 4.2949e-01 1.4865e-03 5.7361e-02 -6.0000e+00 3.7730e-01 6.1118e-02 1.8915e-03 3.5787e-02 -6.0000e+00 4.0990e-01 -3.2730e-02 1.8738e-03 1.7635e-02 -6.0000e+00 2.4389e-01 2.4955e-03 9.4524e-04 5.8830e-03 -6.0000e+00 1.0239e-01 1.7209e-03 -1.1492e-03 2.6823e-05 6.6880e-05 -6.0000e+00 7.7289e-03 2.8843e-04 0.0000e+00 11 8 0 10 0 0 50.06 21.57 0.20 0.00029 -0.00835 349 66 1 5 0 144.720 26.32 20.00 21.57 13.56 36.7 1042.96 -101554 -118055 31881 -122182 -73215 -84299 -86245 -18052 -71685 -71323 -87127 -67925 -62839 -30244 -4258 -15833 -31352 -28630 1264 47 -22598 -7351 -9277 -20586 -11360 -15329 6630 -13155 -12188 -15585 -5150 -3365 -1221 -6291 -2978 2760 -5179 -3518 482 2005 -2646 423 -3451 -2030 -1363 2634 -906 2713 1731 2449 2037 1561 1287 2905 2213 1585 1708 35 1038 238 560 2747 1572 747 561 445 1494 877 1659 1615 405 120 -290 -738 -303 -534 564 886 1373 -399 -133 -466 -1514 -1282 -1522 -1254 -1223 -747 -794 -326 94 418 693 1449 1265 1342 868 927 -183 -345 -289 -342 327 819 -285 -1095 -492 -822 -18 30 -167 -564 -286 44 -11 662 987 790 420 -393 -804 -301 -145 -307 -56 -77 268 1398 864 144 251 88 362 97 172 -315 -266 161 -430 -513 -231 55 105 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