File name: Pandora55s1_QueensNY_20241105_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241106T044831.3Z 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 v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241105_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: 20241105 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 20241105T124339.0Z 9075.530312 73 1 17.96 2 78.57 122.93 120.63 103.51 0.00 1 0.00 1 0 25 2.161e-01 9.512e-03 8.114e-02 3.468e-03 5.379462e-01 1.828556e-03 6.292701e-03 -6.000000e+00 1.273489e-01 224.05 -2.00 3.51 -2.00 320.14 0.00e+00 2.710309e-03 6.442358e-04 1.139251e-03 -6.000000e+00 5.714500e-03 281.65 -2.00 20.00 -2.00 319.52 0.00e+00 4.876 0.002 302.00 328.00 3 1.7761e+00 5.4133e-03 5.6132e-02 -6.0000e+00 3.1388e-01 4.3137e-02 6.6752e-03 2.9812e-02 -6.0000e+00 3.4118e-01 -3.6445e-02 5.9243e-03 1.4108e-02 -6.0000e+00 2.0318e-01 6.4763e-03 3.0166e-03 5.4656e-03 -6.0000e+00 8.5915e-02 4.0302e-04 -1.0711e-03 1.0535e-04 5.5469e-05 -6.0000e+00 6.5401e-03 1.6493e-03 0.0000e+00 12 9 9 12 1 1 96.17 22.35 0.17 0.00165 -0.00640 27 15 1 5 0 641.070 26.21 20.01 22.35 20.23 37.3 1016.39 -92468 -103943 900000 -111322 -16973 -4622 -13390 900000 -59975 -27075 -83917 -58306 -63028 -13667 44052 228 -37334 5317 23280 29147 -26577 -5020 -338 -22529 395 -13749 62820 -15055 -285 -19097 3098 4972 -4525 -736 5009 22376 -9188 -1740 6099 7961 -5089 -331 -3662 -3811 -3274 5684 -356 4995 3532 3407 -515 985 -456 6408 7075 2173 4237 877 2394 -1565 -1220 4891 968 -1962 1679 -1739 3001 -265 590 1102 531 -4 647 -1963 1794 -721 1383 1765 -150 -1187 -1356 783 -1604 -1434 -2368 -1318 -1442 -736 -683 81 -42 117 588 2034 1116 1278 545 -251 -136 -343 -129 -934 415 1436 873 -997 -696 -1154 31 506 347 -622 -455 -351 -86 683 1063 851 489 -337 -921 -860 180 399 -145 143 -262 1005 767 272 499 239 312 474 333 -372 -134 215 -354 -600 -454 -172 224 137 -1421 -2102 900000 -2679 -163 -38 -123 900000 -1067 -387 -2147 -1279 -1679 -285 662 6 -1594 169 678 856 -1350 -214 -14 -1220 19 -788 1841 -899 -15 -1186 172 311 -355 -61 404 1517 -860 -171 662 1006 -828 -56 -685 -740 -645 1055 -71 966 710 715 -119 244 -125 1788 2090 699 1389 301 806 -539 -421 1672 373 -853 760 -829 1349 -121 275 560 299 -2 401 -1227 1042 -401 699 849 -75 -647 -838 532 -1219 -1158 -2026 -1177 -1349 -713 -675 80 -40 106 505 1682 946 1167 551 -281 -166 -439 -165 -1151 476 1565 965 -1164 -850 -1467 41 702 516 -982 -739 -568 -136 1036 1561 1252 740 -534 -1505 -1412 289 627 -224 215 -385 1434 1119 422 827 419 568 889 646 -753 -279 458 -763 -1298 -968 -355 448 269 SS 20241105T124855.3Z 9075.533974 76 1 50.43 2 77.73 123.90 119.70 104.21 0.00 1 0.00 1 0 25 2.970e-01 8.080e-03 9.906e-02 1.894e-03 5.056694e-01 9.887813e-04 5.926140e-03 -6.000000e+00 1.737552e-01 224.05 -2.00 3.51 -2.00 320.03 0.00e+00 1.540031e-03 3.338567e-04 7.634206e-04 -6.000000e+00 7.760201e-03 281.65 -2.00 20.00 -2.00 319.39 0.00e+00 4.570 0.002 302.00 328.00 3 1.8768e+00 2.8981e-03 5.2399e-02 -6.0000e+00 4.2779e-01 1.9406e-02 3.5350e-03 2.7042e-02 -6.0000e+00 4.6475e-01 -1.0943e-02 3.0519e-03 1.3198e-02 -6.0000e+00 2.7776e-01 -2.9339e-03 1.5635e-03 4.2902e-03 -6.0000e+00 1.1753e-01 5.0793e-04 -1.0696e-03 5.7952e-05 4.9949e-05 -6.0000e+00 8.8509e-03 1.8439e-03 0.0000e+00 11 8 0 10 0 0 99.99 22.35 0.17 0.00184 -0.00619 135 26 1 5 0 373.490 26.21 20.00 22.35 20.66 37.3 1019.19 -71875 -76831 268796 -92425 -5840 4939 -57158 97941 -28044 -35459 -69018 -35892 -44524 -17792 30728 -11949 -21313 -7994 33625 11550 -11941 3283 10774 -17561 -4457 -9473 33325 -3459 -8117 -16981 -1107 719 -1584 -3618 -3142 16515 -6038 -3991 984 4120 -4237 -363 -5259 -1590 -1428 5504 -1829 2988 1482 3196 2495 371 -589 5321 3819 1589 2033 1598 1055 -725 573 3830 1471 -899 1603 -1021 1125 11 518 1439 350 563 381 -1222 1196 -527 1153 1563 960 -603 -854 295 -2004 -1339 -1637 -943 -1585 -374 -1038 -295 -309 64 928 1336 952 1189 601 760 -132 -355 -190 -598 -237 1133 317 -711 -796 -1033 -45 312 -22 -623 -275 -61 -87 555 745 1043 341 -212 -861 -567 74 252 97 179 -152 1225 1090 -154 476 315 503 204 264 -523 -162 243 -286 -627 -229 -153 15 169 -1166 -1528 497 -2332 -64 47 -998 451 -470 -693 -1941 -802 -1240 -469 631 -424 -928 -336 1042 464 -618 152 475 -1059 -257 -611 1506 -217 -521 -1192 -73 53 -136 -343 -303 1313 -610 -445 124 598 -757 -69 -1097 -333 -304 1119 -402 639 327 720 601 99 -172 1591 1229 545 720 577 382 -263 207 1401 598 -408 763 -507 534 5 250 752 204 350 245 -789 725 -303 606 776 487 -336 -538 206 -1561 -1106 -1426 -860 -1526 -371 -1056 -297 -303 60 814 1129 822 1099 615 857 -162 -459 -246 -741 -276 1250 355 -841 -987 -1332 -60 440 -34 -996 -451 -99 -138 843 1096 1533 516 -336 -1412 -936 120 400 151 271 -225 1750 1584 -239 788 550 914 381 511 -1056 -337 515 -616 -1358 -486 -316 30 334 SS 20241105T135301.8Z 9075.578494 111 1 2.09 2 68.49 136.80 108.70 112.72 0.00 1 0.00 1 0 25 1.183e-02 6.868e-03 7.217e-03 2.324e-03 3.067882e-01 1.191377e-03 3.754992e-03 -6.000000e+00 6.919676e-03 224.05 -2.00 3.51 -2.00 317.19 0.00e+00 2.303317e-04 1.697066e-04 1.610934e-04 -6.000000e+00 3.090183e-04 281.64 -2.00 20.00 -2.00 316.48 0.00e+00 2.702 0.000 302.00 328.00 3 1.4173e+00 3.1151e-03 3.1004e-02 -6.0000e+00 1.7036e-02 1.2777e-02 3.5078e-03 1.5698e-02 -6.0000e+00 1.8508e-02 -8.5671e-03 2.1005e-03 7.7628e-03 -6.0000e+00 1.1061e-02 -1.4347e-03 1.0265e-03 2.2277e-03 -6.0000e+00 4.6809e-03 6.1425e-03 -6.9880e-04 7.1052e-05 2.8642e-05 -6.0000e+00 3.5244e-04 1.1157e-03 0.0000e+00 12 9 1 12 1 1 55.28 22.32 0.19 0.00112 -0.00414 12 60 1 5 0 160.190 26.11 20.01 22.32 21.97 37.3 1025.56 -1318 -3618 -4213 -4760 -2675 -3226 -2883 119 -1828 -1309 -2733 1109 -12 178 2229 -722 -851 418 261 46 -23 -370 2739 541 1895 -71 -767 -1779 53 1875 1194 1416 1489 -1418 -471 996 -1498 53 593 -619 -368 -1010 -1020 -1380 -145 119 -641 -989 -813 925 1591 404 403 1336 637 562 363 135 523 628 1571 1220 1248 1018 -1113 168 67 -19 1330 1019 -147 -711 -609 -584 -323 -372 481 401 1833 -34 -348 -434 -1589 -1284 -1301 -1250 -620 -920 -367 -501 -45 292 736 1469 1787 1032 1112 396 -296 -466 -223 -487 113 463 165 -539 -549 -569 -231 166 -121 -348 -347 -179 -137 490 1168 645 1023 -41 -1010 -561 -468 -522 73 21 331 1649 757 469 679 249 369 119 282 -223 -139 363 -502 -612 -397 -246 -322 301 -133 -421 -519 -578 -294 -334 -302 13 -234 -180 -392 157 -2 30 422 -159 -189 97 63 12 -6 -98 710 149 549 -22 -245 -558 15 522 342 439 473 -492 -162 326 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