File name: Pandora55s1_QueensNY_20250326_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250327T050910.8Z 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 v1.8.75 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250326_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: 20250326 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 20250326T122820.2Z 9216.519678 112 1 26.55 2 71.97 102.80 64.28 145.65 0.00 1 0.00 1 0 25 3.042e-01 1.370e-02 7.084e-02 3.589e-03 5.800777e-01 1.910329e-03 6.708638e-03 -6.000000e+00 1.820004e-01 227.03 -2.00 3.51 -2.00 319.80 0.00e+00 2.322084e-03 5.960811e-04 3.334480e-04 -6.000000e+00 8.073541e-03 278.24 -2.00 20.00 -2.00 319.23 0.00e+00 3.188 0.001 302.00 328.00 3 3.7332e+00 5.4500e-03 4.4016e-02 -6.0000e+00 4.5170e-01 6.6780e-02 6.5591e-03 3.0312e-02 -6.0000e+00 4.9030e-01 -6.0515e-02 5.6520e-03 1.5289e-02 -6.0000e+00 2.9021e-01 2.0454e-02 2.9207e-03 5.1751e-03 -6.0000e+00 1.2151e-01 2.4842e-04 -1.1439e-03 1.0472e-04 5.8130e-05 -6.0000e+00 9.2258e-03 -5.7831e-04 0.0000e+00 12 9 9 12 1 1 99.83 21.87 0.14 -0.00058 -0.00917 12 5 1 5 0 2041.620 26.32 20.00 21.87 11.81 36.9 1045.22 -108554 -120256 900000 -134675 -31044 900000 -74336 900000 -23340 -62955 -101315 -65163 -72835 -32834 133942 -18657 -42375 13809 108810 20900 -12825 4888 6108 -40831 279 -15637 99450 -17891 -14792 -22334 -5680 4290 -2619 -5840 -2019 29099 -9714 -10686 9821 9400 -5268 4463 -5928 -2640 -573 10647 -3987 7170 5609 8768 3405 1101 -3105 10624 5659 2728 8077 3873 5762 -86 -2295 4073 629 -2200 2291 -3038 3391 -983 1110 1194 -52 2097 1300 -1450 2790 -651 -132 2092 -365 -554 -1588 1637 -1584 -1292 -2611 -752 -2872 -919 -1445 -487 -245 -923 747 971 -134 741 -739 276 -258 -460 -349 -296 -31 1202 243 -873 -823 -1230 116 1336 411 -1029 -217 -646 -344 233 781 1136 653 17 -1023 104 186 1433 476 227 52 1678 354 -181 813 564 663 348 232 -574 106 270 -248 -939 -465 -404 -177 -122 -2218 -3242 900000 -4619 -392 900000 -1383 900000 -339 -1433 -3481 -1743 -2445 -939 1017 -688 -2206 472 1679 769 -671 222 279 -3044 15 -1059 2409 -1276 -1009 -1661 -396 315 -237 -596 -205 2180 -1069 -1328 1201 1371 -1000 852 -1314 -589 -128 2184 -943 1568 1277 2020 876 315 -1003 3288 1943 1000 2938 1479 2153 -33 -903 1576 272 -1067 1150 -1633 1702 -504 577 673 -32 1376 880 -992 1766 -397 -74 1100 -199 -329 -1070 1196 -1295 -1119 -2392 -709 -2877 -940 -1507 -502 -245 -889 675 853 -121 713 -787 320 -325 -607 -461 -376 -37 1351 276 -1037 -1018 -1580 154 1856 611 -1633 -352 -1052 -547 356 1155 1674 987 27 -1658 168 295 2204 719 334 75 2337 507 -275 1311 961 1170 633 436 -1123 214 552 -511 -1947 -944 -798 -336 -229 SS 20250326T123259.1Z 9216.522906 115 1 4.55 2 71.11 103.63 63.78 146.73 0.00 1 0.00 1 0 25 2.270e-01 1.278e-02 1.765e-01 6.568e-03 5.590351e-01 3.451697e-03 6.530952e-03 -6.000000e+00 1.342643e-01 227.03 -2.00 3.51 -2.00 319.55 0.00e+00 4.130513e-04 9.932919e-04 4.159176e-04 -6.000000e+00 5.920768e-03 278.24 -2.00 20.00 -2.00 318.96 0.00e+00 3.052 0.000 302.00 328.00 3 3.2100e+00 9.7266e-03 4.2253e-02 -6.0000e+00 3.3322e-01 2.6873e-02 1.1542e-02 2.9068e-02 -6.0000e+00 3.6152e-01 -2.8176e-02 9.6521e-03 1.4517e-02 -6.0000e+00 2.1525e-01 9.7405e-03 5.0382e-03 4.1542e-03 -6.0000e+00 9.0524e-02 4.9794e-04 -1.4601e-03 1.9240e-04 5.1256e-05 -6.0000e+00 6.7771e-03 4.8449e-03 0.0000e+00 12 9 9 12 1 1 94.81 21.88 0.17 0.00484 -0.00613 3 8 1 5 0 1136.160 26.32 20.00 21.88 12.00 36.7 1045.93 26536 -119180 900000 -129573 61630 -54085 -58428 72453 34626 -33392 -51670 29463 -64051 26134 -6985 32817 -35847 39228 20655 39485 -9807 4097 2366 -14885 10220 -18796 52081 -25303 1125 -25168 1508 -15212 13837 -7866 1522 24013 -1642 1033 -1935 10528 -5064 7617 -7624 156 4643 7534 -1053 3928 3207 -1225 3289 -1086 7189 4016 4348 583 4381 -676 644 571 -2127 2000 -20 -637 1091 960 954 1397 497 -723 -169 977 -503 -1539 2665 -3737 3343 1273 1909 -1968 -1967 1140 -1725 -1838 -2458 -6 -1471 735 -2866 773 -1073 -657 1272 46 1196 1168 364 1021 792 -1588 -233 -479 168 788 329 -931 -536 -130 -345 452 25 -804 87 181 -755 1693 643 755 530 -267 -1375 -541 604 255 845 -90 -345 1332 659 499 393 441 -29 97 -152 -321 144 -174 -225 -149 -158 -247 -335 61 190 -3876 900000 -5119 396 -980 -1149 472 366 -727 -1415 413 -2471 535 -236 909 -2113 1266 854 1461 -592 223 134 -1054 625 -1605 2398 -2355 80 -2309 118 -1584 1269 -959 174 2203 -197 136 -310 1790 -1127 1654 -1995 40 1144 1837 -279 1012 850 -350 959 -356 2392 1472 1690 243 1837 -299 280 245 -931 879 -10 -336 605 544 530 763 282 -447 -114 693 -369 -1125 1812 -2510 1980 732 1107 -1268 -1413 884 -1482 -1672 -2347 -6 -1517 772 -3126 820 -1122 -657 1194 43 1114 1160 397 1204 1007 -2137 -312 -615 203 909 383 -1131 -676 -169 -466 640 38 -1276 141 293 -1199 2558 951 1115 800 -419 -2225 -875 953 395 1275 -133 -500 1869 944 753 632 745 -51 174 -281 -617 283 -350 -456 -302 -315 -479 -628 112 SS 20250326T123750.9Z 9216.526284 118 1 40.44 2 70.22 104.50 63.28 147.87 0.00 1 0.00 1 0 25 8.473e-02 6.270e-03 1.264e-02 8.022e-04 5.451845e-01 4.191665e-04 6.393405e-03 -6.000000e+00 5.014198e-02 227.03 -2.00 3.51 -2.00 319.22 0.00e+00 8.814181e-04 1.085373e-04 4.364902e-04 -6.000000e+00 2.183466e-03 278.24 -2.00 20.00 -2.00 318.62 0.00e+00 2.923 0.000 302.00 328.00 3 1.6802e+00 1.1618e-03 4.0813e-02 -6.0000e+00 1.2444e-01 4.1063e-02 1.3539e-03 2.8338e-02 -6.0000e+00 1.3497e-01 -2.8317e-02 1.0737e-03 1.4059e-02 -6.0000e+00 8.0316e-02 3.3310e-03 5.6645e-04 4.1512e-03 -6.0000e+00 3.3685e-02 2.6237e-03 -8.1104e-04 2.3350e-05 4.9210e-05 -6.0000e+00 2.5266e-03 -1.2748e-03 0.0000e+00 12 1 1 12 1 1 96.83 21.87 0.19 -0.00127 -0.00737 177 42 1 5 0 227.150 26.32 20.00 21.87 12.16 36.8 1047.22 -35916 -39012 12581 -45908 -21043 -22079 -29065 -10479 -22826 -17497 -28696 -16856 -22156 -7702 -260 -3625 -10230 -913 1611 1617 -5110 -765 325 -6161 -2258 -5815 3019 -5229 -3067 -5583 -723 1049 30 -1573 -1682 2886 -1825 -956 -248 740 -1910 -1260 -1579 -911 -652 705 -570 494 287 1158 1308 660 967 1401 1373 675 975 313 552 708 874 1922 1409 832 -104 344 848 689 1152 792 211 -98 -353 -651 -241 -213 629 810 1288 -70 151 -539 -1609 -1336 -1322 -1178 -1000 -658 -513 -433 -43 457 698 1343 1319 1162 752 655 -196 -511 -368 -532 -1 673 -152 -989 -451 -848 -62 51 -134 -410 -312 20 67 738 931 925 575 -333 -821 -357 -88 -395 26 -47 323 1426 955 200 551 116 274 107 138 -304 -146 152 -427 -432 -257 -153 -18 145 -595 -794 183 -1108 -376 -416 -557 -204 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