File name: Pandora55s1_QueensNY_20231013_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240123T143632.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20231013_L1_smca1c17d20220526p1-8.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: 20231013 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]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20231013T114639.6Z 8686.490736 83 1 50.85 2 83.00 106.60 70.05 110.13 0.00 1 0.00 1 0 17 9.255e-01 4.011e-02 2.706e-01 7.692e-03 8.252530e-01 4.631053e-03 9.107902e-03 -6.000000e+00 5.720310e-01 226.20 -2.00 3.51 -2.00 321.87 0.00e+00 3.821139e-04 2.655139e-03 2.983567e-03 -6.000000e+00 2.791944e-02 284.59 -2.00 20.00 -2.00 321.37 0.00e+00 7.523 0.008 302.00 328.00 3 7.7040e-01 1.7646e-02 8.9253e-02 -6.0000e+00 1.4174e+00 1.0084e+00 2.3227e-02 5.3794e-02 -6.0000e+00 1.5460e+00 -1.3996e+00 1.8468e-02 2.3903e-02 -6.0000e+00 9.1475e-01 5.7523e-01 8.4898e-03 8.5455e-03 -6.0000e+00 3.8941e-01 5.9388e-05 -1.5284e-03 2.3244e-04 1.0627e-04 -6.0000e+00 3.0465e-02 1.1832e-02 0.0000e+00 12 9 8 11 4 0 56.34 22.67 0.40 0.01183 0.00035 53 10 1 5 0 959.250 26.00 20.01 22.67 17.57 35.8 1002.93 40704 900000 -65706 165661 900000 15361 900000 900000 220469 -15821 -64675 24539 -139076 900000 226012 2732 170948 900000 900000 900000 900000 529277 -5345 81354 88345 900000 121272 14114 -24084 61125 900000 130134 -40271 205803 900000 132523 20096 900000 900000 91491 472123 40253 93989 92365 900000 15056 900000 116673 900000 43280 66629 6507 221737 168928 82746 150676 79960 141394 42297 72424 81941 44776 -2876 70364 -19159 63088 13676 23763 37381 3097 26053 33040 10411 39470 12714 21172 49510 9878 -25740 -3440 21178 7733 3343 -474 1734 -6675 -2961 -6137 -1883 -184 -4864 2704 2840 -3941 -563 -6424 -3079 -4456 -1654 -4987 -4043 -335 5145 2488 -1616 -3014 -3562 -1810 1429 714 -6416 -1160 -2157 -2029 -1236 1199 3741 350 -612 -2302 1623 3195 7539 596 1178 829 1920 1062 -1721 1691 2322 2945 1172 1715 -1026 732 35 557 -1634 -1027 -1281 -188 -1877 805 900000 -3347 1238 900000 264 900000 900000 1648 -405 -2721 500 -15655 900000 1689 122 1606 900000 900000 900000 900000 3956 -251 1751 1811 900000 1681 511 -1224 1509 900000 2202 -3646 1789 900000 2180 1041 900000 900000 3651 3529 2855 4061 3982 900000 1301 900000 4028 900000 3323 4495 837 4086 5481 6257 6215 6375 6189 4432 5561 5872 4915 -547 7504 -4860 7474 2570 4280 6572 832 6096 7404 2799 7546 2831 3959 6810 2051 -8370 -1070 6108 2859 1400 -219 832 -3636 -1624 -3532 -1035 -96 -2515 1246 1297 -2027 -317 -4427 -2378 -3945 -1547 -4865 -3733 -274 3721 1830 -1292 -2593 -3245 -1750 1479 835 -8867 -1643 -3160 -2950 -1737 1618 4975 496 -916 -3593 2439 4578 10100 825 1585 1089 2463 1435 -2638 2834 4258 5757 2456 3783 -2443 1796 88 1410 -4191 -2550 -3045 -416 -4085 SS 20231013T115737.1Z 8686.498346 86 1 50.33 2 81.02 108.48 68.18 112.19 0.00 1 0.00 1 0 25 4.979e-01 1.014e-02 1.551e-01 1.926e-03 7.140661e-01 1.059861e-03 8.026778e-03 -6.000000e+00 2.963312e-01 226.20 -2.00 3.51 -2.00 321.05 0.00e+00 4.661915e-03 5.128959e-04 5.624433e-04 -6.000000e+00 1.339054e-02 284.59 -2.00 20.00 -2.00 320.48 0.00e+00 6.067 0.004 302.00 328.00 3 7.0051e-02 3.5621e-03 7.1204e-02 -6.0000e+00 7.3311e-01 1.4252e-01 4.9172e-03 3.9063e-02 -6.0000e+00 7.9561e-01 -1.1858e-01 4.9393e-03 2.0886e-02 -6.0000e+00 4.7321e-01 3.7194e-02 2.3495e-03 9.5864e-03 -6.0000e+00 2.0131e-01 5.7927e-04 -1.5154e-04 5.5167e-05 1.0336e-04 -6.0000e+00 1.5201e-02 1.1545e-02 0.0000e+00 12 9 8 11 4 0 14.89 22.67 0.27 0.01154 0.01041 186 35 1 5 0 270.560 26.00 20.02 22.67 18.27 35.7 1006.19 -226659 900000 -226686 -17454 -92607 -67217 900000 -72051 -147126 -191429 -118621 -126834 -176820 15761 -22022 -90243 -33847 43415 41092 5463 -5614 -17032 -48152 -2240 -20635 256881 -27031 -14039 -52912 -4999 31 -4680 -33537 -1298 44845 -18537 -7066 2820 9424 -5235 6303 -9209 -270 306 14189 -1288 10359 5718 6209 4677 2707 479 8459 11034 2604 7435 1677 5342 562 1613 6232 2415 935 3317 -1508 4612 1186 2004 2537 96 1336 1298 -796 1315 2 1739 2217 1368 -3398 -78 883 -1079 -1185 -1437 -995 -1940 -833 -1378 -376 -441 520 879 1306 855 371 104 637 -600 -616 -586 -506 643 723 168 -1482 -873 -1210 -108 208 -45 -918 -184 -79 -289 555 751 1250 463 -215 -798 29 273 268 79 -172 511 934 1028 -182 429 396 526 305 302 -423 -218 187 -533 -527 -226 -181 41 247 -3063 900000 -3574 -34 -375 -219 900000 -313 -1497 -3126 -1113 -1604 -4614 83 -211 -1931 -495 326 341 68 -80 -279 -1094 -37 -440 482 -644 -295 -1649 -117 1 -153 -1653 -48 1094 -842 -326 143 544 -389 467 -858 -24 28 1167 -128 954 582 675 567 360 73 1315 1810 493 1400 341 1039 112 320 1250 539 242 931 -466 1340 360 640 905 38 570 573 -351 533 1 609 740 482 -1375 -36 457 -649 -752 -977 -719 -1501 -644 -1097 -294 -345 379 603 909 604 297 93 639 -669 -742 -711 -576 678 706 165 -1562 -972 -1383 -131 269 -63 -1402 -296 -128 -460 839 1129 1879 707 -348 -1344 48 436 424 121 -256 752 1338 1484 -287 741 735 1019 627 643 -943 -497 438 -1273 -1254 -520 -404 89 526 SS 20231013T120944.4Z 8686.506764 91 1 50.47 2 78.86 110.60 66.16 114.54 0.00 1 0.00 1 0 25 1.983e-01 6.300e-03 3.996e-02 9.769e-04 6.007138e-01 5.198524e-04 6.850737e-03 -6.000000e+00 1.171325e-01 226.20 -2.00 3.51 -2.00 320.27 0.00e+00 2.370163e-03 1.959889e-04 5.377693e-04 -6.000000e+00 5.262116e-03 284.59 -2.00 20.00 -2.00 319.63 0.00e+00 4.993 0.002 302.00 328.00 3 2.5199e-02 1.5723e-03 5.8690e-02 -6.0000e+00 2.8950e-01 7.6890e-02 1.9770e-03 3.2009e-02 -6.0000e+00 3.1394e-01 -3.6083e-02 1.8071e-03 1.6017e-02 -6.0000e+00 1.8750e-01 2.4125e-03 9.1090e-04 6.1261e-03 -6.0000e+00 7.9755e-02 1.8879e-03 6.4708e-05 2.8595e-05 6.4132e-05 -6.0000e+00 5.9545e-03 1.0875e-02 0.0000e+00 11 1 0 11 4 0 42.11 22.67 0.21 0.01087 0.01136 352 67 1 5 0 143.340 26.00 20.01 22.67 19.08 35.8 1010.12 -93829 63347 -97202 -41227 -69751 -55139 -24776 -57815 -49139 -73086 -38764 -59539 -47658 -12467 -1240 -24480 -19777 260 1567 -4641 -2998 -5417 -18316 -3510 -10456 8675 -15130 -4978 -17131 -2037 -624 91 -9042 -3415 6501 -4335 -1616 -234 1331 -3439 -850 -4623 -362 -1675 2258 -867 1733 1705 1615 2055 644 935 2334 2476 1041 1780 206 1040 518 1375 2261 1867 879 664 120 1468 808 1440 1670 -5 72 -195 -915 131 -261 900 1037 1147 -554 41 -36 -1386 -1405 -1538 -1091 -1269 -603 -645 -278 57 763 681 1475 1381 849 665 639 -278 -318 -316 -404 243 623 -198 -1151 -607 -732 -107 35 -103 -367 -260 63 -87 563 845 1010 459 -281 -753 -328 -229 -274 55 -64 301 1280 897 160 263 -28 296 224 227 -328 -209 245 -445 -484 -206 -31 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