File name: Pandora55s1_QueensNY_20240720_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240721T051115.2Z 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_20240720_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: 20240720 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 20240720T105015.1Z 8967.451564 181 1 49.85 2 78.87 72.43 115.79 254.16 0.00 1 0.00 1 0 25 4.602e-01 2.135e-02 1.073e-01 3.732e-03 6.918459e-01 2.139810e-03 8.018107e-03 -6.000000e+00 2.859838e-01 232.69 -2.00 3.51 -2.00 321.02 0.00e+00 8.667472e-03 1.013885e-03 1.939793e-03 -6.000000e+00 1.402456e-02 289.72 -2.00 20.00 -2.00 320.37 0.00e+00 4.993 0.002 302.00 328.00 3 2.3429e+00 7.2550e-03 6.2300e-02 -6.0000e+00 7.1839e-01 1.9184e-01 9.5992e-03 3.7300e-02 -6.0000e+00 7.7933e-01 -2.9310e-01 8.5927e-03 2.2135e-02 -6.0000e+00 4.5969e-01 1.2111e-01 4.1067e-03 1.1080e-02 -6.0000e+00 1.9137e-01 1.6220e-04 -7.4470e-04 1.1019e-04 1.4502e-04 -6.0000e+00 1.4401e-02 1.6032e-02 0.0000e+00 12 9 8 11 4 0 96.49 22.84 0.21 0.01603 0.01044 37 7 1 5 0 1347.100 26.21 19.97 22.84 28.75 37.8 1084.58 -217974 900000 -245436 900000 900000 -130812 900000 -18524 -100771 -194084 -114525 -169962 -25379 900000 13092 -92806 -62621 900000 900000 -56580 60514 20354 -85910 -13667 -9476 900000 -29222 -31478 -61176 -12507 42945 -3419 11366 11844 900000 -14173 -16267 46103 51017 -3765 33737 -10632 878 11654 60447 1515 41398 23630 32109 7380 8198 -3903 36322 29166 10632 20725 5355 12732 9088 9041 15233 8284 -2990 10907 -4203 13980 183 4019 5470 2248 3655 7573 -4301 8388 -1191 2862 7337 -2247 -928 -4435 4068 -1409 -1345 -3978 -1763 -4589 -2172 -3175 -788 -1732 -1633 685 1145 -619 -183 -2684 -687 -1290 -1061 -546 -385 172 1753 1302 -1264 -1453 -1353 -281 868 652 -1803 -199 -5 -483 -95 348 1752 531 35 -1145 -363 1504 2355 537 689 25 1299 398 -234 1207 861 779 644 788 -317 193 -39 -351 -1145 -621 -347 -78 -597 -5817 900000 -9506 900000 900000 -1592 900000 -91 -1150 -5576 -1726 -5203 -259 900000 147 -3249 -1858 900000 900000 -1910 694 342 -4011 -346 -241 900000 -911 -1008 -2704 -403 992 -143 460 490 900000 -755 -983 1850 2309 -322 2242 -1129 88 1089 3707 164 3224 2259 3020 942 1148 -674 4708 4321 1953 3593 1080 2383 1732 1734 2911 1869 -839 2958 -1363 3820 57 1261 1875 884 1527 3147 -1949 3219 -459 981 2322 -807 -369 -2109 2054 -832 -857 -2741 -1258 -3520 -1702 -2567 -622 -1337 -1200 469 765 -436 -142 -2398 -681 -1422 -1241 -639 -430 178 1691 1262 -1306 -1579 -1536 -335 1105 903 -2733 -311 -8 -748 -142 506 2541 799 55 -1862 -588 2347 3559 801 1000 36 1796 572 -363 2030 1555 1478 1268 1616 -685 429 -89 -806 -2644 -1403 -755 -162 -1220 SS 20240720T110103.5Z 8967.459068 187 1 50.22 2 76.91 74.07 117.66 255.62 0.00 1 0.00 1 0 25 3.907e-01 1.077e-02 1.122e-01 2.242e-03 6.169403e-01 1.231302e-03 7.016127e-03 -6.000000e+00 2.380082e-01 232.69 -2.00 3.51 -2.00 320.45 0.00e+00 3.991816e-03 4.898741e-04 3.180422e-04 -6.000000e+00 1.074081e-02 289.72 -2.00 20.00 -2.00 319.73 0.00e+00 4.299 0.001 302.00 328.00 3 2.1943e+00 3.8543e-03 5.4343e-02 -6.0000e+00 5.9706e-01 4.6825e-02 4.8995e-03 3.3377e-02 -6.0000e+00 6.4447e-01 -6.5384e-02 4.3396e-03 1.7009e-02 -6.0000e+00 3.8246e-01 1.9043e-02 2.1579e-03 7.2720e-03 -6.0000e+00 1.6110e-01 4.0174e-04 -3.5334e-04 6.6053e-05 7.4171e-05 -6.0000e+00 1.1956e-02 1.7302e-02 0.0000e+00 12 9 8 11 12 0 99.84 22.83 0.27 0.01730 0.01465 69 13 1 5 0 727.570 26.21 19.99 22.83 29.27 37.8 1088.03 -149258 900000 -167308 -31875 -18352 -83516 900000 -46981 -60178 -112143 -91265 -98275 -65208 249730 -21732 -51333 -63813 76028 63163 -34036 1812 24 -46676 -9027 -21799 131328 -16972 -20835 -37993 5603 7998 -286 -10598 425 37323 -14151 -9773 4528 6876 -7104 5194 -5439 -2313 1446 13326 -3754 7245 5396 6917 1668 1362 -1808 7660 8519 2185 4946 1617 4082 29 1558 4887 1924 -669 3201 -636 4886 105 829 1486 -159 1456 795 -2528 2080 -774 1084 1712 497 -1181 -2026 1729 -1795 -1150 -1992 -1382 -2025 -773 -1295 -28 66 417 677 1476 745 575 -26 153 -203 -529 -405 -905 49 1103 127 -1055 -735 -1079 -408 620 92 -725 -138 9 -252 576 946 1366 298 -537 -877 -143 153 770 -114 -129 228 1211 673 -156 676 443 752 349 387 -398 -167 167 -495 -726 -366 -138 -68 192 -2575 900000 -3866 -197 -96 -847 900000 -422 -671 -2176 -1603 -2204 -1353 546 -455 -1625 -2525 893 898 -1253 49 1 -2146 -317 -914 1367 -707 -894 -1973 217 358 -16 -723 27 1662 -1052 -790 382 676 -910 654 -803 -346 214 1812 -610 1092 857 1141 310 279 -421 1773 2100 596 1369 468 1152 8 446 1426 633 -250 1249 -264 1908 43 347 681 -82 794 448 -1443 1090 -387 495 745 225 -595 -1174 1093 -1288 -876 -1609 -1169 -1807 -711 -1215 -26 59 357 550 1165 608 510 -25 168 -243 -668 -512 -1098 56 1178 138 -1203 -874 -1337 -528 847 135 -1139 -224 14 -400 878 1403 2022 458 -861 -1444 -235 246 1205 -175 -194 333 1720 981 -244 1135 790 1391 669 770 -827 -359 365 -1093 -1610 -796 -290 -137 383 SS 20240720T110624.6Z 8967.462785 190 1 50.46 2 75.93 74.88 118.59 256.34 0.00 1 0.00 1 0 25 2.599e-01 8.243e-03 9.555e-02 1.659e-03 5.814149e-01 9.005541e-04 6.636413e-03 -6.000000e+00 1.571675e-01 232.69 -2.00 3.51 -2.00 320.12 0.00e+00 2.736717e-03 3.219718e-04 3.560894e-04 -6.000000e+00 7.141488e-03 289.72 -2.00 20.00 -2.00 319.38 0.00e+00 4.020 0.001 302.00 328.00 3 1.9826e+00 2.7202e-03 5.0978e-02 -6.0000e+00 3.9388e-01 1.7894e-02 3.3715e-03 3.1423e-02 -6.0000e+00 4.2480e-01 -2.7316e-02 2.8945e-03 1.5501e-02 -6.0000e+00 2.5329e-01 3.9058e-03 1.4662e-03 5.9467e-03 -6.0000e+00 1.0720e-01 6.7613e-04 -1.9440e-04 4.9085e-05 6.0020e-05 -6.0000e+00 7.8212e-03 1.5818e-02 0.0000e+00 11 9 0 11 12 0 95.19 22.85 0.27 0.01582 0.01436 93 18 1 5 0 542.430 26.21 20.00 22.85 29.72 37.8 1090.63 -113508 900000 -119908 -27895 -64225 -64468 156225 5727 -44152 -85890 -60263 -73257 -32380 45275 -13143 -37838 1573 29945 28129 -25521 1422 -3096 -24042 -15036 -13120 49590 -12263 -10216 -25606 -2166 2933 935 -4989 -2495 16806 -8081 -6439 2637 3086 -4526 1642 -4667 -1455 -1347 5758 -2737 3638 2796 4278 1599 1190 -914 4927 4575 1082 2599 225 1838 -174 1043 3305 2416 -964 1048 -985 2112 824 1096 1938 280 537 -245 -1049 2 -410 329 1537 987 -643 -675 189 -1817 -1193 -1634 -952 -1293 -675 -787 -251 188 729 801 1734 776 1125 292 466 -298 -610 -652 -406 242 988 -186 -1039 -858 -1004 17 407 134 -534 -205 9 -109 594 819 1040 397 -167 -1068 -348 125 103 -117 31 195 1212 831 -86 413 236 537 176 290 -232 -77 157 -484 -653 -239 -106 -44 244 -1937 900000 -2447 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