File name: Pandora55s1_QueensNY_20220104_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111159.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220104_L1_smca1c19d20211111p1-8.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: 20220104 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20220104T132604.9Z 8039.559779 76 1 49.40 2 80.58 131.21 99.15 112.87 0.00 1 0.00 1 0 25 5.150e-01 1.168e-02 1.912e-01 2.099e-03 7.612080e-01 1.154357e-03 8.709119e-03 -6.000000e+00 3.035752e-01 223.42 -2.00 3.51 -2.00 321.15 0.00e+00 5.376085e-03 5.422538e-04 3.604605e-03 -6.000000e+00 1.380753e-02 276.02 -2.00 20.00 -2.00 320.67 0.00e+00 5.819 0.004 302.00 328.00 3 4.4074e-01 3.7447e-03 7.3197e-02 -6.0000e+00 7.4900e-01 1.4399e-01 5.3253e-03 4.9791e-02 -6.0000e+00 8.1806e-01 -1.3302e-01 5.8040e-03 2.2047e-02 -6.0000e+00 4.8547e-01 4.4388e-02 2.7668e-03 8.4692e-03 -6.0000e+00 2.0237e-01 4.8267e-04 -2.6816e-03 5.8830e-05 9.1801e-05 -6.0000e+00 1.5737e-02 3.6723e-03 -1.2427e-04 12 8 8 10 0 0 73.59 22.68 0.24 0.00367 -0.01648 135 26 1 5 0 365.850 25.58 19.98 22.68 -0.71 28.7 1031.20 -127327 -60487 900000 -248541 -96706 -114972 -173258 900000 -131098 52461 -221160 58206 -199902 -200917 900000 -44574 -92828 -107307 900000 74196 68538 -55176 44002 -80218 -18153 -55661 900000 -18589 -27572 -53556 -18976 22819 1540 -11838 -9732 92694 -21952 -3392 15597 13316 -2060 3420 -658 -5893 9310 16183 138 6562 14377 13829 6448 4696 3825 15447 10652 6466 3615 2668 3069 4734 1167 7732 3642 -885 4449 116 5522 -43 3966 1254 843 -454 2076 -1730 2771 -97 1084 4079 1716 1449 -1092 2049 -1629 -691 -2768 -1875 -2182 -1054 -1618 -308 -73 -174 1269 559 1325 809 233 25 -466 -871 -736 -352 626 1530 -561 -846 -976 -877 -381 455 -233 -1113 -326 -329 -20 753 1068 1280 263 -385 -575 -188 119 379 136 148 304 1585 909 137 -66 170 482 448 134 -364 -119 234 -459 -607 -94 -141 20 26 -416 -126 900000 -3672 -319 -444 -1238 900000 -788 107 -3757 119 -4059 -5432 900000 -448 -1734 -2610 900000 382 388 -1040 333 -2112 -291 -1354 900000 -332 -546 -1458 -440 440 43 -417 -347 1262 -916 -136 632 658 -134 235 -50 -492 696 1177 12 563 1222 1275 700 580 530 2114 1639 1088 651 490 556 830 214 1416 772 -222 1172 33 1505 -13 1195 434 325 -190 865 -726 1051 -35 355 1274 584 562 -506 1055 -965 -438 -1883 -1334 -1629 -810 -1267 -236 -54 -123 847 375 937 640 210 25 -523 -1037 -872 -395 646 1479 -554 -873 -1057 -994 -457 587 -329 -1707 -518 -528 -31 1146 1587 1915 407 -621 -947 -304 188 578 203 216 433 2219 1332 219 -116 320 948 919 287 -814 -273 547 -1086 -1432 -215 -311 42 53 SS 20220104T133557.8Z 8039.566641 82 1 48.45 2 79.19 133.04 97.49 114.31 0.00 1 0.00 1 0 25 3.384e-01 7.417e-03 9.668e-02 1.304e-03 6.888192e-01 6.966171e-04 7.956729e-03 -6.000000e+00 1.967412e-01 223.42 -2.00 3.51 -2.00 320.71 0.00e+00 3.303372e-03 2.878454e-04 2.095153e-03 -6.000000e+00 8.743806e-03 276.02 -2.00 20.00 -2.00 320.21 0.00e+00 5.137 0.002 302.00 328.00 3 2.6329e-01 2.1296e-03 6.3206e-02 -6.0000e+00 4.8459e-01 8.7138e-02 2.8279e-03 3.9385e-02 -6.0000e+00 5.2794e-01 -4.7705e-02 2.9538e-03 1.8901e-02 -6.0000e+00 3.1474e-01 5.7811e-03 1.4596e-03 6.4649e-03 -6.0000e+00 1.3258e-01 1.1811e-03 -2.3862e-03 3.6743e-05 7.4178e-05 -6.0000e+00 1.0108e-02 3.0680e-03 -1.0658e-04 11 8 0 10 0 0 6.37 22.67 0.28 0.00307 -0.01486 249 47 1 5 0 194.540 25.58 20.02 22.67 0.42 29.0 1036.50 -144118 -5676 900000 -153267 -97637 -99756 -126751 51410 -107949 -55974 -139794 -74497 -97205 -109187 36975 -41127 -48754 -11222 27276 3614 4548 -25600 -6472 -32517 -22344 -22542 17154 -14805 -22910 -31031 -13311 5690 -6980 -9647 -4785 14461 -7037 -4160 4469 -1689 -3924 904 -3325 -2283 -822 3431 -2381 3004 2375 2994 2297 1198 729 4562 4173 2564 1270 238 242 60 223 3197 2356 544 1594 -187 2869 462 2997 1418 354 262 339 -807 -278 -155 199 1734 1073 366 -295 234 -1513 -1228 -1544 -1386 -1291 -898 -682 -523 152 281 971 1363 1466 933 595 688 -274 -417 -536 -547 431 1350 -368 -1014 -809 -1073 -7 63 -282 -642 -105 -175 23 839 1132 1133 360 -483 -756 -400 -136 -114 57 -83 541 1499 731 153 145 -94 313 159 157 -446 -143 85 -428 -528 -137 -6 163 352 -983 -13 900000 -1578 -609 -622 -1096 85 -1002 -342 -1956 -682 -1270 -2109 235 -642 -964 -173 347 57 74 -577 -125 -880 -600 -652 345 -411 -694 -1084 -451 194 -321 -508 -246 609 -387 -257 310 -138 -381 93 -381 -271 -99 405 -307 382 320 430 366 217 148 905 896 591 309 60 60 15 54 804 671 179 572 -71 1045 174 1175 591 168 134 178 -417 -133 -67 85 705 463 170 -163 149 -1034 -911 -1226 -1097 -1080 -783 -603 -456 126 233 755 1038 1182 802 595 746 -338 -520 -665 -669 471 1453 -383 -1124 -949 -1335 -9 87 -414 -988 -169 -283 37 1305 1698 1710 571 -771 -1245 -648 -223 -180 86 -122 803 2162 1056 248 252 -172 607 312 327 -954 -319 195 -953 -1221 -304 -12 336 702 SS 20220104T134211.1Z 8039.570962 85 1 47.87 2 78.34 134.22 96.45 115.22 0.00 1 0.00 1 0 25 2.391e-01 6.809e-03 5.346e-02 1.062e-03 6.511445e-01 5.597761e-04 7.611058e-03 -6.000000e+00 1.390358e-01 223.42 -2.00 3.51 -2.00 320.43 0.00e+00 2.475332e-03 2.123555e-04 1.853636e-03 -6.000000e+00 6.099754e-03 276.02 -2.00 20.00 -2.00 319.91 0.00e+00 4.791 0.002 302.00 328.00 3 2.5349e-01 1.6654e-03 5.8910e-02 -6.0000e+00 3.4245e-01 7.3293e-02 2.1329e-03 3.6316e-02 -6.0000e+00 3.7309e-01 -3.7993e-02 2.1253e-03 1.7546e-02 -6.0000e+00 2.2228e-01 3.6907e-03 1.0704e-03 5.5418e-03 -6.0000e+00 9.3280e-02 1.7217e-03 -2.3570e-03 3.0107e-05 6.8707e-05 -6.0000e+00 7.1327e-03 2.7516e-03 -1.1110e-04 11 8 0 10 0 0 10.79 22.67 0.18 0.00275 -0.01496 299 57 1 5 0 160.070 25.58 19.99 22.67 0.78 28.9 1037.34 -123432 19149 -5726 -110985 -62339 -88695 -74777 -27353 -35709 -78530 -78291 -65957 -46549 -89156 4815 -28823 -34812 -21736 2989 8080 -9498 -4921 -10229 -12765 -18703 -7505 5887 -7920 -10888 -19022 -4840 -462 -28 -8646 795 2795 191 -3959 3301 -1180 -2894 -543 -2556 -799 -1573 3818 -2082 2044 921 3994 1259 2314 653 3181 2125 850 1455 -527 665 -276 1859 1963 2399 320 735 170 1292 1249 1864 1356 -98 -46 -503 -219 -618 92 222 989 1301 331 -45 -443 -1196 -1512 -1513 -1310 -946 -903 -686 -337 36 653 823 1615 1170 1432 728 851 -284 -566 -296 -367 445 1007 -91 -1252 -720 -892 78 18 -201 -491 -112 -94 50 821 969 981 389 -427 -1001 -353 -344 -194 15 83 488 1453 827 3 247 -192 455 186 152 -411 -199 108 -454 -426 -143 91 75 274 -1162 58 -22 -1243 -411 -743 -577 -149 -242 -902 -973 -820 -587 -2039 60 -613 -838 -516 66 183 -245 -135 -282 -389 -663 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