File name: Pandora55s1_QueensNY_20231026_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20231030T111057.8Z 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 v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20231026_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: 20231026 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 20231026T120155.0Z 8699.501331 191 1 50.45 2 83.09 113.01 127.06 306.08 0.00 1 0.00 1 0 25 7.663e-01 4.321e-02 2.183e-01 6.770e-03 7.227369e-01 3.893674e-03 8.950145e-03 -6.000000e+00 4.617930e-01 225.01 -2.00 3.51 -2.00 321.66 0.00e+00 2.610283e-02 1.956165e-03 5.983584e-04 -6.000000e+00 2.235473e-02 283.00 -2.00 20.00 -2.00 321.15 0.00e+00 7.610 0.008 302.00 328.00 3 5.5304e-01 1.3696e-02 8.8623e-02 -6.0000e+00 1.1447e+00 1.0921e+00 1.6340e-02 6.2722e-02 -6.0000e+00 1.2521e+00 -1.5165e+00 1.1263e-02 2.1297e-02 -6.0000e+00 7.4047e-01 6.3643e-01 5.6659e-03 2.6555e-02 -6.0000e+00 3.1160e-01 7.1053e-05 -2.1909e-03 2.0517e-04 3.7969e-04 -6.0000e+00 2.4257e-02 1.1885e-02 0.0000e+00 12 9 8 11 4 0 12.10 22.67 0.47 0.01189 -0.00458 48 9 1 5 0 1050.840 26.00 20.02 22.67 20.37 36.0 1016.57 65025 900000 19580 900000 218915 76950 900000 152609 198801 -42480 3303 1326 -74758 900000 268690 68994 -86981 900000 900000 900000 179549 224205 2643 139621 37006 900000 60865 9103 -15299 107282 900000 96526 136030 102789 900000 53875 48321 163646 900000 42078 202413 30730 83922 81873 278039 49713 190059 182406 142219 80814 55183 27957 165657 135755 75784 105471 64692 73760 34752 37037 76389 35990 11524 52564 9854 58367 19300 25770 28301 8314 23496 28519 3366 28699 4207 12094 22556 -2799 -4233 -6420 16081 1933 5006 -5409 1117 -9369 -3829 -9087 -1900 -3436 -7499 -412 -2665 -3480 -4361 -8452 -5782 -2978 -3018 -165 -2027 1591 2642 151 -1062 -5151 -4882 -4006 2433 -1034 -4830 -1334 -2158 -1742 -1160 -67 1557 722 393 -896 -523 4271 6562 1901 2046 2527 3092 1171 -277 2915 2771 2711 2580 1234 -424 68 71 -348 -1728 -1234 -1326 -853 -1959 2908 900000 1317 900000 1539 1820 900000 1388 1310 -2129 108 52 -7689 900000 1770 3184 -18493 900000 900000 900000 2807 2044 184 2403 1575 900000 1840 446 -992 2478 900000 3476 3615 3690 900000 2722 2663 3267 900000 3150 3430 2770 4736 4803 2519 4122 4270 4546 5401 5779 5380 3776 6445 7242 7133 7430 6475 6512 4287 4484 6736 5137 2321 7967 2317 8683 4068 5263 6127 2387 6271 7355 1061 6675 1119 2722 4403 -724 -1253 -2294 5402 829 2259 -2831 581 -5633 -2292 -5844 -1142 -2035 -4378 -213 -1377 -1890 -2679 -6240 -4830 -2751 -3034 -165 -1962 1374 2097 122 -905 -4828 -4835 -4215 2662 -1296 -6876 -1959 -3257 -2579 -1660 -93 2151 1044 599 -1427 -833 6390 9331 2747 2883 3457 4141 1653 -434 4967 5161 5375 5376 2734 -998 166 177 -880 -4426 -3080 -3173 -1932 -4331 SS 20231026T121301.6Z 8699.509047 194 1 50.44 2 81.17 114.95 128.61 308.81 0.00 1 0.00 1 0 25 5.578e-01 1.231e-02 1.232e-01 2.441e-03 6.431559e-01 1.345817e-03 7.255749e-03 -6.000000e+00 3.333286e-01 225.01 -2.00 3.51 -2.00 320.99 0.00e+00 3.453373e-03 6.315603e-04 6.057256e-04 -6.000000e+00 1.528455e-02 283.00 -2.00 20.00 -2.00 320.42 0.00e+00 6.160 0.004 302.00 328.00 3 5.6421e-01 4.4600e-03 6.9939e-02 -6.0000e+00 8.2325e-01 7.4148e-02 6.0320e-03 3.5232e-02 -6.0000e+00 8.9586e-01 -1.0984e-01 5.9217e-03 1.8185e-02 -6.0000e+00 5.3177e-01 4.2260e-02 2.8371e-03 7.3719e-03 -6.0000e+00 2.2540e-01 3.7093e-04 -3.0239e-04 7.3717e-05 8.2232e-05 -6.0000e+00 1.7108e-02 1.1577e-02 0.0000e+00 12 9 8 11 4 0 -4.09 22.67 0.27 0.01158 0.00931 126 24 1 5 0 400.260 26.00 20.00 22.67 21.44 35.9 1022.25 -202358 900000 -191108 -70188 900000 -140446 900000 -116937 -67635 -173526 -88711 -137193 -167679 900000 -39345 -72160 -11476 900000 35688 116442 -11234 38024 -60904 775 -34455 402723 -11109 -33512 -43714 -19025 23074 -12210 -118 -6445 74332 -19303 -11490 5739 15030 -4751 7166 -7199 -3746 5219 16637 -1396 6317 11011 8361 5057 3004 -2774 14958 9473 6221 5703 5300 5161 3085 3129 6981 2223 -1970 5386 -2771 7128 -356 4070 2657 86 1525 2652 -1689 2324 -232 1185 4109 315 549 -1510 2182 -2267 -506 -2285 -1109 -2309 -1363 -1832 -511 -227 -118 1143 1074 1295 453 -391 -158 -309 -656 -1005 -665 177 1637 -273 -936 -1169 -1292 -556 584 241 -852 -386 -212 -57 405 1390 797 797 -516 -945 -450 561 657 -87 191 371 1526 659 5 472 725 456 530 369 -376 -80 93 -485 -753 -369 -331 420 -123 -3391 900000 -3290 -364 900000 -1442 900000 -1206 -477 -3607 -915 -2701 -5557 900000 -603 -1751 -176 900000 412 645 -217 472 -2044 16 -1052 958 -284 -1051 -1561 -607 589 -510 -5 -293 1579 -1015 -633 322 928 -405 606 -741 -391 514 1519 -153 670 1164 959 646 434 -467 2340 1675 1192 1151 1092 1063 638 649 1464 537 -555 1557 -893 2090 -112 1284 943 35 659 1168 -765 965 -91 427 1382 114 219 -710 1134 -1363 -324 -1571 -799 -1772 -1086 -1499 -412 -177 -88 800 738 918 356 -348 -158 -340 -770 -1187 -750 184 1602 -273 -983 -1291 -1493 -677 756 341 -1299 -611 -339 -90 608 2018 1167 1206 -819 -1550 -735 893 1021 -133 283 538 2147 960 7 807 1323 877 1055 766 -818 -180 214 -1133 -1767 -849 -737 894 -258 SS 20231026T122618.0Z 8699.518264 199 1 50.56 2 78.92 117.31 130.39 312.21 0.00 1 0.00 1 0 25 1.868e-01 6.535e-03 5.103e-02 1.149e-03 5.402665e-01 6.053001e-04 6.240921e-03 -6.000000e+00 1.098323e-01 225.01 -2.00 3.51 -2.00 320.14 0.00e+00 1.276770e-03 2.157418e-04 6.671929e-04 -6.000000e+00 4.923492e-03 283.00 -2.00 20.00 -2.00 319.50 0.00e+00 5.017 0.002 302.00 328.00 3 4.2285e-01 1.8052e-03 5.7159e-02 -6.0000e+00 2.7087e-01 1.5361e-02 2.2342e-03 2.8824e-02 -6.0000e+00 2.9406e-01 -1.3217e-02 1.9879e-03 1.4163e-02 -6.0000e+00 1.7562e-01 -2.6800e-03 1.0108e-03 4.7329e-03 -6.0000e+00 7.4774e-02 1.3937e-03 1.1971e-04 3.4648e-05 5.3486e-05 -6.0000e+00 5.6064e-03 1.0826e-02 0.0000e+00 11 9 0 11 4 0 7.42 22.67 0.22 0.01083 0.01173 267 50 1 5 0 189.310 26.00 19.98 22.67 22.59 36.2 1028.70 -78907 121958 -79508 -21693 -58247 -38127 -13373 -25297 -39495 -56268 -38910 -40572 -50113 -2644 -2888 -23291 41680 5733 10869 -6091 -2092 -1799 -11432 -5629 -9213 14571 -8583 -4444 -14817 1294 338 1064 -4900 -474 5931 -4347 -3404 -681 765 -4945 115 -4819 -749 -1549 2023 -1638 1179 1118 1609 1794 308 712 2350 2725 652 2044 471 625 911 1223 2445 1436 658 220 398 1409 1148 1317 1519 -9 199 -86 -652 -34 -363 681 493 981 -667 -489 -408 -1354 -1240 -1439 -1050 -1106 -592 -730 -142 -87 700 779 1590 1329 1336 554 676 -322 -445 -188 -410 40 620 -63 -1257 -342 -1027 -114 197 -20 -325 -214 66 -78 621 830 898 371 -353 -892 -597 -216 -257 98 -88 417 1242 928 102 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