File name: Pandora55s1_QueensNY_20201121_L2Fit_fout2c10d20200414p1-8.txt File generation date: 20260625T173006.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c10p1-8 Local principal investigator: James Szykman Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora55_OF_v3d20190723.txt Instrument calibration file used: Pandora55s1_CF_v10d20200414.txt Level 1 file used: Pandora55s1_QueensNY_20201121_L1_smca1c10d20200414p1-8.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: 20201121 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1379 305.2779 305.4179 305.5579 305.6978 305.8378 305.9778 306.1177 306.2576 306.3976 306.5375 306.6774 306.8172 306.9571 307.0970 307.2369 307.3767 307.5165 307.6564 307.7962 307.9360 308.0758 308.2156 308.3553 308.4951 308.6349 308.7746 308.9143 309.0541 309.1938 309.3335 309.4732 309.6128 309.7525 309.8922 310.0318 310.1715 310.3111 310.4507 310.5903 310.7299 310.8695 311.0091 311.1486 311.2882 311.4277 311.5673 311.7068 311.8463 311.9858 312.1253 312.2648 312.4043 312.5437 312.6832 312.8226 312.9621 313.1015 313.2409 313.3803 313.5197 313.6591 313.7984 313.9378 314.0771 314.2165 314.3558 314.4951 314.6344 314.7737 314.9130 315.0523 315.1915 315.3308 315.4700 315.6092 315.7485 315.8877 316.0269 316.1661 316.3052 316.4444 316.5836 316.7227 316.8618 317.0010 317.1401 317.2792 317.4183 317.5574 317.6964 317.8355 317.9745 318.1136 318.2526 318.3916 318.5306 318.6696 318.8086 318.9476 319.0866 319.2255 319.3645 319.5034 319.6423 319.7812 319.9201 320.0590 320.1979 320.3368 320.4756 320.6145 320.7533 320.8922 321.0310 321.1698 321.3086 321.4474 321.5861 321.7249 321.8636 322.0024 322.1411 322.2798 322.4185 322.5572 322.6959 322.8346 322.9733 323.1119 323.2506 323.3892 323.5278 323.6665 323.8051 323.9436 324.0822 324.2208 324.3594 324.4979 324.6364 324.7750 324.9135 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20201121T124302.6Z 7630.529891 66 1 49.25 2 82.16 125.17 145.31 60.66 0.00 1 0.00 1 0 17 6.999e-01 5.507e-02 1.885e-01 1.033e-02 7.095825e-01 6.000325e-03 8.258350e-03 -6.000000e+00 4.311190e-01 223.17 -2.00 3.51 -2.00 321.51 0.00e+00 1.117010e-03 2.577877e-03 3.860003e-03 -6.000000e+00 2.230447e-02 279.78 -2.00 20.00 -2.00 320.99 0.00e+00 6.838 0.006 302.00 328.00 3 1.9704e+00 1.9455e-02 8.0129e-02 -6.0000e+00 1.0599e+00 9.7803e-01 2.3735e-02 4.7862e-02 -6.0000e+00 1.1604e+00 -1.3425e+00 1.7508e-02 1.9796e-02 -6.0000e+00 6.8190e-01 5.2767e-01 8.6725e-03 6.7146e-03 -6.0000e+00 2.9433e-01 3.9016e-05 -2.8131e-03 3.2666e-04 8.4988e-05 -6.0000e+00 2.3375e-02 1.1335e-02 8.7709e-05 12 9 8 11 32 0 19.98 23.06 0.84 0.01133 -0.00980 18 3 1 5 0 2735.070 25.90 20.00 23.06 17.81 26.7 978.08 900000 900000 -66502 900000 900000 900000 900000 900000 107706 -63864 58656 -85747 83519 900000 200301 7633 900000 900000 900000 161276 98722 114712 27443 -3550 46646 900000 52230 85233 -34366 900000 900000 69153 -29419 145000 52485 -303 31631 900000 900000 110869 124198 24326 140785 156594 240553 14722 900000 218172 174684 10154 15760 -13377 66602 213822 57722 284212 115389 150295 62654 47066 59105 25849 -15365 56227 -2407 33185 -13609 42438 52652 78 24223 66044 -4326 2023 3652 17164 62199 11670 -6891 -9687 38877 -1783 8212 -12960 3301 -6110 -3802 -8704 4357 -10011 -6420 3546 4583 -268 -3008 -9983 -2456 -3247 -9040 -2183 -2505 3536 6290 10036 -2460 -1414 -468 31 7190 -2813 -6310 -899 -2228 -3504 -730 903 6228 -1636 882 -4038 -1929 8277 10478 427 2310 -865 -149 -2979 -3021 2006 5040 4252 2300 2885 -498 1688 732 675 -7436 1314 -1253 464 -1653 900000 900000 -8063 900000 900000 900000 900000 900000 1831 -5625 1612 -10322 2320 900000 2356 627 900000 900000 900000 3075 3289 3123 1722 -308 2543 900000 2480 2737 -3362 900000 900000 3351 -3888 3575 2972 -28 2280 900000 900000 5540 5839 3047 5823 5445 3616 1914 900000 4023 5070 1499 2382 -2874 7181 5943 7378 4205 8693 7888 7247 6102 6969 4495 -4354 8872 -680 6622 -4160 7907 9776 26 7024 13226 -1634 675 1095 4099 9219 2838 -2213 -3713 10927 -822 3768 -7666 1774 -3772 -2401 -5884 2601 -6572 -3870 1843 2311 -147 -1880 -7596 -1997 -3002 -9495 -2192 -2410 2963 4803 7379 -2119 -1280 -444 31 7443 -3528 -8961 -1295 -3319 -5195 -1026 1216 8045 -2340 1296 -6406 -3012 11573 14009 605 3146 -1178 -198 -4178 -4640 3301 8815 7989 4622 6069 -1133 3949 1774 1653 -19435 3144 -2936 1018 -3569 SS 20201121T131200.9Z 7630.550011 80 1 49.85 2 77.83 130.50 140.54 68.13 0.00 1 0.00 1 0 25 1.181e-01 6.703e-03 2.885e-02 1.134e-03 5.305262e-01 5.911515e-04 6.230433e-03 -6.000000e+00 6.895617e-02 223.17 -2.00 3.51 -2.00 319.95 0.00e+00 1.919991e-03 1.956916e-04 8.832945e-04 -6.000000e+00 3.072800e-03 279.77 -2.00 20.00 -2.00 319.35 0.00e+00 4.604 0.002 302.00 328.00 3 6.5443e-01 1.7144e-03 5.3329e-02 -6.0000e+00 1.6955e-01 1.7389e-02 2.0867e-03 2.8443e-02 -6.0000e+00 1.8443e-01 -1.9206e-02 1.8407e-03 1.3857e-02 -6.0000e+00 1.1008e-01 -7.1967e-04 9.5031e-04 4.7650e-03 -6.0000e+00 4.6885e-02 1.6411e-03 -7.4398e-04 3.3994e-05 5.2604e-05 -6.0000e+00 3.5439e-03 9.8887e-03 2.6480e-05 11 8 0 10 0 0 21.28 23.07 0.25 0.00989 0.00430 238 45 1 5 0 207.690 25.90 20.00 23.07 20.06 27.0 989.73 -32024 18556 -64668 -9797 -27631 -48967 11385 -37020 -16944 -61162 -17254 -46652 -19238 -154 -8883 -14835 -21276 12124 -3571 -102 -9004 -3326 -12365 -7258 -6494 7085 -7454 -4468 -9823 -2444 1655 -1667 -8396 -2452 8972 -7293 -1772 1153 1013 -3532 -2469 -1406 -624 1130 -56 -1318 233 1576 1618 1364 200 545 2371 2466 1053 1392 976 509 726 813 2193 1815 588 446 326 1458 178 2395 1576 187 -189 -71 -963 -188 -393 581 918 1126 177 -615 0 -1750 -1169 -1686 -710 -1049 -622 -537 -474 29 562 882 1370 1431 983 873 681 -162 -612 -404 -339 218 858 -110 -1080 -732 -816 -213 21 -220 -327 -140 -169 -39 484 896 865 364 -286 -888 -660 -158 -250 31 295 313 1363 1037 342 339 182 467 318 323 -359 -148 181 -463 -778 -121 -94 -25 200 -360 138 -1126 -94 -303 -686 106 -587 -242 -1448 -286 -1216 -473 -4 -294 -550 -930 447 -152 -4 -431 -154 -666 -404 -385 380 -460 -263 -617 -155 117 -141 -841 -237 762 -754 -196 150 147 -623 -477 -287 -131 239 -12 -296 52 358 383 346 53 158 734 817 372 509 365 190 266 299 835 765 262 216 162 700 85 1159 851 109 -120 -46 -628 -115 -236 315 466 578 101 -388 0 -1364 -985 -1521 -641 -1012 -629 -557 -488 29 517 797 1181 1260 905 915 775 -199 -807 -533 -420 257 946 -123 -1302 -891 -1049 -290 29 -326 -526 -225 -272 -62 730 1345 1296 544 -456 -1424 -1064 -260 -397 47 453 460 1926 1504 521 549 322 835 596 615 -729 -304 384 -967 -1634 -256 -190 -49 384 SS 20201121T131803.9Z 7630.554212 83 1 49.83 2 76.97 131.65 139.51 69.53 0.00 1 0.00 1 0 25 8.068e-02 6.464e-03 1.786e-02 9.342e-04 5.006844e-01 4.853143e-04 5.915392e-03 -6.000000e+00 4.708950e-02 223.17 -2.00 3.51 -2.00 319.68 0.00e+00 1.616079e-03 1.464588e-04 7.476410e-04 -6.000000e+00 2.098402e-03 279.77 -2.00 20.00 -2.00 319.06 0.00e+00 4.320 0.001 302.00 328.00 3 6.0785e-01 1.3795e-03 5.0034e-02 -6.0000e+00 1.1578e-01 1.0259e-02 1.6471e-03 2.6541e-02 -6.0000e+00 1.2595e-01 -9.3471e-03 1.3841e-03 1.2972e-02 -6.0000e+00 7.5176e-02 -4.7505e-03 7.2176e-04 4.2685e-03 -6.0000e+00 3.2017e-02 2.3235e-03 -7.2983e-04 2.8211e-05 4.8766e-05 -6.0000e+00 2.4201e-03 9.9496e-03 2.5354e-05 11 8 0 10 0 0 -0.54 23.06 0.15 0.00995 0.00447 287 54 1 5 0 171.800 25.90 20.00 23.06 20.35 26.9 990.99 -24343 22342 -54771 2618 -30769 -12873 -6754 -18372 -14647 -35794 -19183 -27548 -10766 422 -200 -10086 -5494 1188 3649 -1709 -1477 138 -3155 -5541 -4951 3533 -6747 -1126 -8297 3463 -394 907 -5939 -815 5134 -2428 -873 983 618 -3628 -1749 -2913 -787 -1215 733 -1339 35 639 868 1061 633 1222 1490 1776 413 1483 465 1021 500 1205 1951 1295 727 -190 407 683 807 1755 1812 93 -233 -167 -933 -530 -365 544 870 1307 -42 -174 -458 -1502 -1489 -1189 -927 -923 -519 -586 -304 -91 785 692 1542 1468 1140 902 927 -228 -694 -447 -450 170 669 175 -1132 -528 -880 -295 -47 -181 -437 -165 -25 -30 648 908 875 412 -352 -882 -607 -285 -309 23 205 366 1344 1105 261 491 110 411 199 266 -229 -265 173 -366 -654 -232 -102 -74 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