File name: Pandora55s1_QueensNY_20250203_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250204T061039.1Z 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 v1.8.70 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250203_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: 20250203 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 20250203T125749.2Z 9165.540153 65 1 50.89 2 81.47 120.32 108.73 58.53 0.00 1 0.00 1 0 25 6.824e-01 2.901e-02 2.377e-01 4.969e-03 8.908835e-01 2.846355e-03 9.771507e-03 -6.000000e+00 4.098538e-01 224.45 -2.00 3.51 -2.00 321.72 0.00e+00 6.813785e-03 1.480830e-03 2.263637e-03 -6.000000e+00 1.874225e-02 275.28 -2.00 20.00 -2.00 321.29 0.00e+00 6.356 0.005 302.00 328.00 3 1.3624e+00 9.9141e-03 8.0736e-02 -6.0000e+00 1.0155e+00 7.3246e-01 1.3675e-02 5.4136e-02 -6.0000e+00 1.1107e+00 -1.0084e+00 1.3349e-02 2.6036e-02 -6.0000e+00 6.5468e-01 4.1890e-01 6.2209e-03 1.0306e-02 -6.0000e+00 2.7062e-01 9.2615e-05 -2.1375e-03 1.3853e-04 1.3182e-04 -6.0000e+00 2.0895e-02 5.4873e-03 0.0000e+00 12 8 8 10 0 0 90.02 22.59 0.35 0.00549 -0.01058 52 10 1 5 0 978.330 25.90 19.99 22.59 8.06 36.0 1022.54 -163215 -173763 900000 -192575 77641 900000 -83397 900000 -228559 -29043 -175895 -105287 -154736 -42187 900000 136549 -60057 59572 900000 900000 -17097 248678 128418 -98863 67131 -16113 900000 30786 -38940 -64415 -6399 115196 11757 31303 84948 900000 2282 4812 143569 251266 25426 169746 16168 29771 54488 176370 18077 134415 89409 92153 39673 38510 11885 114151 80072 42597 66818 41889 54930 25109 4537 48571 18604 694 33515 1612 35132 5225 14487 16903 11503 17668 21477 3357 21039 4291 8006 23715 3891 -1676 -5502 7825 -1862 2320 -3433 675 -6127 -1732 -5582 -1568 -1043 -3369 1188 1022 -2529 -2067 -5869 -2829 -2273 -1972 -2313 -1682 -692 2304 550 -2020 -2885 -3219 -1540 1197 -442 -3813 -975 -1090 -814 -790 1449 1903 862 287 -1432 1195 2428 3813 868 2207 446 2488 1000 -242 1036 1914 1443 969 933 -539 412 -51 -202 -1337 -865 -745 -379 -1168 -3844 -5315 900000 -7282 376 900000 -886 900000 -10488 -204 -5236 -1754 -5007 -603 900000 661 -1827 634 900000 900000 -415 1203 726 -5031 732 -400 900000 473 -1144 -2516 -166 1142 373 911 1506 900000 85 192 1784 1289 1285 2376 1017 1693 2480 2549 1186 3066 3277 3530 2713 2958 1290 5223 5379 4231 5453 4300 4880 2819 606 4482 2515 126 5011 342 5520 1103 2992 3809 3036 4723 5661 1011 4999 1077 1777 4414 925 -481 -1950 2864 -842 1100 -1822 364 -3671 -1039 -3517 -943 -603 -1892 613 528 -1443 -1337 -4550 -2466 -2223 -2077 -2468 -1697 -632 1898 456 -1782 -2696 -3180 -1610 1347 -566 -5538 -1480 -1699 -1258 -1189 2103 2770 1309 454 -2336 1887 3662 5497 1247 3063 612 3331 1418 -383 1824 3657 2959 2098 2125 -1298 1022 -130 -516 -3420 -2143 -1759 -841 -2528 SS 20250203T131314.7Z 9165.550865 70 1 44.65 2 78.98 123.10 106.24 61.33 0.00 1 0.00 1 0 25 5.229e-01 1.656e-02 1.439e-01 2.820e-03 7.293474e-01 1.540844e-03 8.228686e-03 -6.000000e+00 3.107655e-01 224.46 -2.00 3.51 -2.00 320.89 0.00e+00 7.914759e-03 6.604726e-04 7.582462e-04 -6.000000e+00 1.397656e-02 275.28 -2.00 20.00 -2.00 320.42 0.00e+00 5.047 0.002 302.00 328.00 3 1.8272e+00 4.7972e-03 6.3397e-02 -6.0000e+00 7.6844e-01 2.2223e-01 6.3450e-03 4.0411e-02 -6.0000e+00 8.3764e-01 -2.6794e-01 6.4278e-03 2.1396e-02 -6.0000e+00 4.9671e-01 1.0862e-01 3.1422e-03 1.1292e-02 -6.0000e+00 2.0726e-01 2.4747e-04 -1.4259e-03 7.9798e-05 1.1553e-04 -6.0000e+00 1.5939e-02 4.4140e-03 0.0000e+00 12 9 9 12 1 1 91.62 22.59 0.33 0.00441 -0.00630 53 12 1 5 0 826.690 25.90 19.98 22.59 9.63 36.2 1024.19 -206306 -212219 900000 -218606 -89107 9882 -74364 900000 -202685 -104371 -174506 -122054 -146482 -80151 900000 -33223 -80647 -135948 900000 190374 -55582 18998 19737 -65461 -18492 -30242 900000 -29124 -19605 -41697 -441 14416 11830 -7366 17083 77218 -2349 -12760 15803 25560 -2118 18806 -5900 6981 6860 32538 589 23492 16843 20823 10934 10392 4012 18472 15752 7020 12269 6130 8951 1706 1995 10110 4449 925 7052 -534 6568 1859 3030 4322 558 2555 2397 -1492 2201 -313 1718 4656 167 -3620 -2021 1592 -1268 -1447 -2385 -1760 -2787 -1778 -1969 -662 -439 -677 256 648 -758 -808 -956 -724 -655 -578 -440 -416 386 663 -226 -1111 -1147 -1255 -277 382 193 -1091 -286 81 -368 239 670 1425 291 40 -746 391 645 1259 404 256 355 1542 935 -129 685 740 926 574 464 -458 -65 195 -617 -1054 -538 -298 -51 -128 -3400 -4527 900000 -5619 -636 27 -441 900000 -4877 -1056 -3670 -1742 -3254 -1246 900000 -533 -2376 -7572 900000 551 -1765 302 315 -2431 -469 -900 900000 -879 -547 -1518 -13 435 436 -360 687 1741 -114 -763 861 1499 -183 1481 -622 685 692 2663 67 2242 1797 2285 1432 1513 687 3012 2825 1426 2462 1312 1850 367 431 2132 1096 265 2107 -178 2057 612 1039 1619 240 1160 1112 -702 948 -127 633 1609 63 -1579 -1013 882 -801 -985 -1723 -1329 -2220 -1463 -1648 -545 -350 -516 185 459 -567 -669 -892 -757 -755 -705 -538 -486 415 671 -230 -1182 -1278 -1461 -338 499 275 -1683 -458 130 -585 368 1004 2130 450 64 -1229 637 1021 1932 609 377 509 2163 1357 -204 1175 1356 1779 1147 967 -998 -147 446 -1422 -2434 -1213 -646 -106 -259 SS 20250203T131901.8Z 9165.554882 73 1 50.54 2 78.07 124.16 105.30 62.36 0.00 1 0.00 1 0 25 4.658e-01 1.125e-02 1.174e-01 2.063e-03 6.871751e-01 1.107078e-03 7.815505e-03 -6.000000e+00 2.747445e-01 224.46 -2.00 3.51 -2.00 320.68 0.00e+00 3.964372e-03 4.496932e-04 1.432334e-03 -6.000000e+00 1.200194e-02 275.28 -2.00 20.00 -2.00 320.19 0.00e+00 4.690 0.002 302.00 328.00 3 1.7503e+00 3.3756e-03 5.9353e-02 -6.0000e+00 6.7926e-01 1.1019e-01 4.4185e-03 3.8282e-02 -6.0000e+00 7.3909e-01 -1.0705e-01 4.4893e-03 1.8873e-02 -6.0000e+00 4.3834e-01 3.5914e-02 2.2233e-03 7.4758e-03 -6.0000e+00 1.8403e-01 4.0109e-04 -1.1544e-03 5.8639e-05 7.7757e-05 -6.0000e+00 1.4102e-02 4.9859e-03 0.0000e+00 12 8 8 10 0 0 98.54 22.58 0.20 0.00499 -0.00369 104 20 1 5 0 485.790 25.90 19.99 22.58 9.90 36.1 1023.61 -182923 -188813 900000 -202533 -55286 -117136 -17030 900000 -152582 -95624 -130678 -117291 -118083 -83545 205075 -19855 -78058 -40660 41216 75966 -46295 6608 -14039 -42884 -25048 -24745 110824 -25625 -17746 -47065 1028 33 4291 -16328 2272 32079 -1891 -11369 4022 14110 -6176 6149 -8499 1386 -1701 16033 -4604 16225 5741 9469 3381 3536 2001 9198 11125 3343 6998 1383 6817 413 -446 6736 2767 359 2357 -890 3360 179 591 2951 -263 925 1056 -1171 1186 -883 1130 1252 994 -2272 -1117 770 -2156 -1393 -2132 -1588 -2229 -762 -1364 -298 -201 674 538 1606 571 761 -262 313 -332 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