File name: Pandora55s1_QueensNY_20240319_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T133053.6Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240319_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: 20240319 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 20240319T121136.2Z 8844.508057 194 1 50.52 2 77.24 101.59 113.08 347.62 0.00 1 0.00 1 0 25 6.551e-01 7.975e-03 7.940e-02 9.504e-04 8.815855e-01 5.209200e-04 9.731258e-03 -6.000000e+00 3.865071e-01 226.56 -2.00 3.51 -2.00 321.03 0.00e+00 4.815572e-03 2.407869e-04 2.166637e-03 -6.000000e+00 1.683512e-02 277.61 -2.00 20.00 -2.00 320.54 0.00e+00 4.406 0.001 302.00 328.00 3 2.7766e-01 1.6659e-03 6.5814e-02 -6.0000e+00 9.5834e-01 1.6332e-01 2.3960e-03 5.1270e-02 -6.0000e+00 1.0404e+00 -1.3389e-01 2.6514e-03 2.5507e-02 -6.0000e+00 6.1906e-01 4.0967e-02 1.2645e-03 1.1305e-02 -6.0000e+00 2.5930e-01 1.7364e-03 -9.1380e-04 2.4095e-05 1.0312e-04 -6.0000e+00 1.9541e-02 8.3816e-03 0.0000e+00 11 8 0 10 0 0 91.74 22.53 0.18 0.00838 0.00151 423 80 1 5 0 119.420 25.90 19.99 22.53 7.76 35.2 1021.92 -275950 -234748 -79888 -242086 -206783 -190107 -236879 -72978 -202939 -185589 -221554 -178842 -174955 -140354 -38038 -84234 -83430 -60863 -11213 -42002 -36225 -53873 -44482 -66080 -40659 -47157 -8183 -37596 -47747 -46289 -32080 -18371 -20743 -10550 -9975 6942 -17205 -12743 -1422 -1275 -2656 -1593 -2370 -1907 20 4512 -1107 4237 3474 5635 4078 4463 2536 7821 4321 3782 3074 866 1667 924 1493 3571 2711 1169 2846 1073 3112 1216 2705 1930 1427 920 417 -251 -59 -15 136 910 652 339 11 411 -1104 -1268 -1495 -1410 -1075 -985 -686 -471 267 354 966 1068 960 626 415 619 -425 -353 -352 -224 267 826 -407 -1248 -808 -946 -276 -128 -247 -607 -273 -77 -47 636 1011 1016 475 -339 -680 -363 144 -60 152 -32 442 1570 801 92 294 16 291 113 88 -498 -143 144 -400 -476 -139 62 127 180 -2046 -1464 -133 -1938 -1246 -952 -1817 -135 -1580 -1359 -2353 -1608 -1799 -1408 -205 -929 -1012 -687 -96 -481 -412 -749 -585 -1169 -617 -827 -112 -634 -913 -956 -695 -443 -631 -332 -325 191 -631 -514 -63 -63 -157 -104 -169 -143 2 338 -92 353 315 550 454 567 345 1123 702 659 564 165 311 169 271 673 584 296 801 304 880 361 858 700 590 413 193 -113 -25 -6 46 300 232 142 5 228 -714 -846 -1068 -1067 -854 -814 -574 -387 208 259 670 741 719 510 400 659 -495 -445 -445 -263 294 825 -407 -1318 -898 -1116 -332 -172 -360 -950 -436 -125 -75 1020 1568 1583 773 -553 -1132 -587 230 -91 234 -47 633 2189 1191 150 522 31 576 240 192 -1117 -334 343 -929 -1135 -316 136 269 365 SS 20240319T121727.8Z 8844.512128 197 1 49.67 2 76.15 102.60 113.31 348.98 0.00 1 0.00 1 0 25 5.406e-01 8.180e-03 1.230e-01 1.625e-03 8.166712e-01 8.972780e-04 9.182543e-03 -6.000000e+00 3.210902e-01 226.56 -2.00 3.51 -2.00 321.08 0.00e+00 4.506321e-03 4.165262e-04 3.065697e-03 -6.000000e+00 1.406201e-02 277.61 -2.00 20.00 -2.00 320.60 0.00e+00 4.083 0.001 302.00 328.00 3 1.4652e+00 2.8983e-03 6.2443e-02 -6.0000e+00 7.9706e-01 1.0218e-01 4.1329e-03 5.0659e-02 -6.0000e+00 8.6590e-01 -6.3160e-02 4.5233e-03 2.3345e-02 -6.0000e+00 5.1340e-01 1.5036e-02 2.1578e-03 9.8193e-03 -6.0000e+00 2.1484e-01 7.7492e-04 -1.3187e-03 4.3869e-05 9.4732e-05 -6.0000e+00 1.6383e-02 1.0791e-02 0.0000e+00 12 9 1 12 9 1 100.00 22.53 0.15 0.01079 0.00088 362 70 1 5 0 136.810 25.90 20.01 22.53 8.00 35.2 1023.49 -215986 -249207 900000 -261681 55546 -185048 -174553 900000 -128762 -105570 -169960 -122239 -166770 -120190 -22024 -39107 -95597 -23456 25642 11436 -16677 -40159 -35464 -48876 -38626 -35887 89610 -39090 -13019 -54190 -5910 -4222 -5624 -14766 -2076 32135 -7344 -9326 -5307 7194 -8246 194 -9049 1962 -1469 10802 -2561 5359 6705 5013 5625 1995 2732 5864 5738 1253 2604 899 3110 1492 612 5124 1882 561 1863 1583 1685 1411 2312 1961 606 476 132 -1792 1234 -231 2387 2085 1935 257 16 361 -743 -1315 -1980 -1288 -1616 -807 -1256 -521 -154 772 651 1499 923 1104 369 448 -238 -531 -191 -382 791 1048 -297 -1034 -988 -844 -240 77 -112 -639 -302 11 -255 922 902 988 297 -340 -875 -327 138 -164 104 -202 408 1457 939 -240 410 13 536 290 61 -401 -211 202 -607 -341 -192 9 149 268 -1246 -2425 900000 -3347 88 -1129 -1018 900000 -629 -460 -1484 -791 -2054 -1285 -125 -326 -1589 -232 180 99 -195 -600 -525 -880 -692 -674 559 -796 -215 -1386 -115 -99 -161 -512 -67 762 -259 -379 -250 363 -552 13 -725 150 -119 807 -223 457 602 494 608 251 382 877 931 223 480 171 574 274 113 957 404 139 505 453 486 417 722 689 240 203 57 -778 488 -85 791 674 667 102 8 194 -450 -863 -1379 -938 -1235 -635 -1006 -411 -116 555 448 1017 665 889 340 467 -276 -654 -235 -446 842 1044 -297 -1079 -1081 -962 -289 100 -160 -995 -493 18 -415 1443 1376 1517 469 -558 -1466 -539 219 -251 156 -296 578 2016 1359 -382 714 24 1061 601 132 -907 -493 479 -1449 -807 -442 20 314 549 SS 20240319T122817.2Z 8844.519644 200 1 50.47 2 74.16 104.49 113.66 351.49 0.00 1 0.00 1 0 25 3.647e-01 7.497e-03 8.987e-02 1.513e-03 7.251787e-01 8.232994e-04 8.208450e-03 -6.000000e+00 2.151722e-01 226.56 -2.00 3.51 -2.00 320.82 0.00e+00 3.012040e-03 3.510444e-04 2.042918e-03 -6.000000e+00 9.486985e-03 277.61 -2.00 20.00 -2.00 320.31 0.00e+00 3.599 0.001 302.00 328.00 3 1.7835e+00 2.5662e-03 5.3913e-02 -6.0000e+00 5.3353e-01 5.9237e-02 3.4623e-03 4.1882e-02 -6.0000e+00 5.7923e-01 -1.4273e-02 3.6102e-03 2.0078e-02 -6.0000e+00 3.4487e-01 -3.8546e-03 1.7631e-03 7.5567e-03 -6.0000e+00 1.4498e-01 9.8917e-04 -9.7951e-04 4.2306e-05 7.9432e-05 -6.0000e+00 1.0888e-02 9.1382e-03 0.0000e+00 11 8 0 10 0 0 99.99 22.56 0.09 0.00914 0.00178 591 112 1 5 0 85.380 25.90 19.99 22.56 8.28 35.0 1024.40 -145485 -178781 900000 -188442 -6503 -117869 -25972 -83428 -59145 -112518 -113836 -97640 -107668 -85994 -16483 -14240 -65721 32644 8113 25615 -26144 -15576 -15567 -27334 -16134 -17359 39789 -20344 -4148 -32576 9771 -4669 8356 -8474 1882 13451 -6362 -2370 1979 5026 -9000 -213 -8158 472 -2948 8072 -1891 4319 1681 3957 2911 841 2508 3711 4550 -388 3153 -624 1570 -48 1993 2681 2209 579 1021 919 1689 1395 1129 2497 -221 280 -576 -1411 166 -452 2035 1529 2110 -325 613 52 -954 -1328 -1440 -1412 -1590 -735 -791 -201 -131 953 674 1955 989 1334 535 602 -326 -534 -138 -519 621 665 88 -1022 -655 -1108 -92 161 -236 -728 -311 14 -171 879 967 1065 291 -162 -943 -439 43 -129 29 -333 553 1466 914 -130 455 -48 286 258 106 -372 -235 280 -501 -418 -101 20 9 303 -940 -1882 900000 -2476 -16 -793 -79 -486 -315 -1059 -1182 -991 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