File name: Pandora55s1_QueensNY_20231108_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20231109T050515.2Z 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 v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20231108_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: 20231108 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 20231108T122621.3Z 8712.518302 215 1 50.58 2 81.86 120.24 36.27 159.31 0.00 1 0.00 1 0 25 6.268e-01 1.533e-02 1.156e-01 2.761e-03 8.097981e-01 1.582218e-03 8.918794e-03 -6.000000e+00 3.771475e-01 223.88 -2.00 3.51 -2.00 321.51 0.00e+00 4.270872e-03 8.648038e-04 9.322944e-04 -6.000000e+00 1.805049e-02 281.40 -2.00 20.00 -2.00 321.01 0.00e+00 6.620 0.005 302.00 328.00 3 1.3393e-01 5.7115e-03 7.8853e-02 -6.0000e+00 9.3227e-01 2.1510e-01 8.5110e-03 4.5804e-02 -6.0000e+00 1.0185e+00 -2.7785e-01 9.0328e-03 2.4868e-02 -6.0000e+00 6.0071e-01 1.1167e-01 4.1372e-03 1.0122e-02 -6.0000e+00 2.5266e-01 2.9986e-04 -5.1190e-04 7.9677e-05 1.2252e-04 -6.0000e+00 1.9530e-02 9.5392e-03 0.0000e+00 12 9 9 12 4 4 55.87 18.16 0.33 0.00954 0.00569 136 26 1 5 0 371.810 26.11 20.01 18.16 12.12 35.1 974.85 -185426 900000 -281032 -169703 900000 -249787 900000 900000 -184997 -220800 -213865 -164985 -268093 900000 -92486 -51847 -58323 900000 900000 900000 -3528 -55270 -85791 -53661 -48805 900000 -4 -64227 -87791 -23770 15972 5343 -18761 14488 104386 -12903 -28850 33570 20168 6011 8547 -1774 7147 5070 54156 -8227 31232 15559 38943 6437 11945 -6356 32925 25191 13130 18024 8376 16243 4707 8421 11717 11288 -2468 11918 -2457 12474 1285 3518 6131 -397 6072 3380 -717 4322 668 894 6733 -442 -1330 -2083 2891 463 -630 -722 -2027 -2766 -1813 -1779 -1134 -483 -478 1295 1314 -324 351 -870 -35 -1057 -386 -1276 -492 -257 797 -618 -1080 -800 -1889 -146 368 1 -1598 -136 -324 -171 560 1163 1403 55 -252 -1144 330 416 1375 217 273 70 1802 477 -143 586 376 904 355 270 -576 95 297 -303 -750 -464 -300 -103 157 -963 900000 -4314 -852 900000 -2727 900000 900000 -1486 -2737 -2823 -1697 -9726 900000 -1041 -471 -646 900000 900000 900000 -29 -776 -1720 -864 -806 900000 0 -1296 -2361 -405 229 103 -515 302 913 -359 -1053 818 670 266 411 -101 392 292 2021 -567 1561 956 2086 514 1020 -719 2864 2553 1585 2178 1121 2018 633 1092 1549 1669 -471 2231 -557 2490 290 829 1582 -122 1907 1116 -241 1308 192 236 1637 -121 -418 -778 1199 222 -333 -406 -1215 -1761 -1193 -1193 -752 -309 -291 743 750 -199 240 -690 -31 -1070 -418 -1403 -513 -246 707 -551 -1007 -784 -1966 -160 436 1 -2329 -207 -504 -263 833 1685 2039 83 -397 -1853 525 641 2038 317 388 98 2448 681 -225 1015 707 1797 740 590 -1329 226 720 -741 -1841 -1109 -689 -226 334 SS 20231108T124359.4Z 8712.530549 221 1 11.88 2 79.03 123.41 35.37 166.53 0.00 1 0.00 1 0 25 3.130e-01 8.983e-03 8.791e-02 2.783e-03 6.434404e-01 1.488160e-03 7.364884e-03 -6.000000e+00 1.832842e-01 223.88 -2.00 3.51 -2.00 320.44 0.00e+00 2.785235e-03 5.880771e-04 4.236893e-04 -6.000000e+00 8.301689e-03 281.40 -2.00 20.00 -2.00 319.87 0.00e+00 5.064 0.002 302.00 328.00 3 5.4400e-01 4.5215e-03 6.0248e-02 -6.0000e+00 4.5112e-01 9.0451e-02 5.7894e-03 3.3770e-02 -6.0000e+00 4.9024e-01 -6.7402e-02 5.5362e-03 1.7583e-02 -6.0000e+00 2.9295e-01 1.7723e-02 2.7665e-03 6.5556e-03 -6.0000e+00 1.2548e-01 1.0047e-03 -2.3311e-04 7.9937e-05 7.4506e-05 -6.0000e+00 9.3927e-03 9.8548e-03 0.0000e+00 12 9 1 12 5 5 92.80 18.15 0.28 0.00985 0.00810 42 35 1 5 0 276.150 26.11 20.02 18.15 12.99 35.3 978.95 -131364 900000 -148636 -61076 -91051 -116217 -31505 -72455 -102025 -95955 -116724 -61558 -107590 -3678 980 -57023 -45873 -12310 22692 -18559 -5174 -13559 -28588 -21420 -21336 38902 -21137 -18498 -31688 -11851 -5850 7545 -10135 6349 7061 -1773 -8016 4742 2334 -1995 4412 -6444 257 -599 8949 -2040 3788 1525 5121 730 2709 446 4734 6875 2414 3937 -377 4028 423 2519 2533 3298 1621 2244 1050 1473 823 658 1925 -404 1084 -86 -399 -367 -288 328 1269 1270 -412 -336 11 -1147 -1880 -1254 -1707 -1399 -784 -1277 -583 -253 259 783 829 484 955 -13 1236 -464 -475 -402 -472 307 193 -43 -1419 -306 -1070 -49 152 26 -745 441 -39 244 996 595 1211 359 -241 -928 -227 -17 78 -197 6 367 1365 1122 -121 532 107 487 -48 262 -434 -115 36 -607 -550 -249 -15 -140 560 -1634 900000 -2521 -414 -803 -1366 -178 -704 -1476 -1410 -2349 -863 -3065 -47 15 -1805 -1462 -309 431 -558 -139 -408 -1067 -814 -806 906 -829 -761 -1422 -490 -272 364 -654 359 392 -111 -609 384 235 -244 524 -915 36 -86 1195 -312 563 242 830 134 544 102 1141 1749 634 1061 -108 1098 117 683 723 1037 586 888 437 604 339 285 861 -209 601 -50 -228 -197 -141 155 566 584 -203 -195 7 -831 -1415 -1002 -1459 -1266 -701 -1174 -528 -232 222 627 644 392 859 -13 1322 -571 -600 -510 -589 345 213 -47 -1599 -361 -1349 -62 211 39 -1167 721 -65 390 1500 904 1829 544 -386 -1554 -377 -27 121 -309 9 529 1988 1614 -186 916 194 905 -95 523 -896 -248 79 -1329 -1202 -547 -30 -285 1093 SS 20231108T124910.4Z 8712.534148 224 1 50.42 2 78.21 124.37 35.19 168.70 0.00 1 0.00 1 0 25 1.922e-01 6.323e-03 2.811e-02 8.647e-04 6.084476e-01 4.569122e-04 7.005779e-03 -6.000000e+00 1.125373e-01 223.88 -2.00 3.51 -2.00 320.20 0.00e+00 1.962830e-03 1.666654e-04 6.962524e-04 -6.000000e+00 5.032141e-03 281.40 -2.00 20.00 -2.00 319.60 0.00e+00 4.742 0.002 302.00 328.00 3 4.8137e-02 1.3535e-03 5.6665e-02 -6.0000e+00 2.7699e-01 5.4321e-02 1.7047e-03 3.2270e-02 -6.0000e+00 3.0100e-01 -2.5265e-02 1.5906e-03 1.6171e-02 -6.0000e+00 1.7975e-01 -8.6580e-04 8.0614e-04 5.8169e-03 -6.0000e+00 7.6620e-02 2.3404e-03 -4.9284e-06 2.5052e-05 6.2624e-05 -6.0000e+00 5.7661e-03 9.1249e-03 0.0000e+00 12 1 1 12 4 4 43.45 18.15 0.22 0.00912 0.00909 412 78 1 5 0 122.350 26.11 20.00 18.15 12.99 35.2 978.56 -76319 -13909 -85638 -67267 -51450 -87378 -6139 -56848 -48549 -77231 -42824 -55236 -54422 -12368 -20570 -16540 -25334 7467 -6016 1306 -7898 -4975 -14102 -7064 -12073 2679 -7325 -12340 -9591 -9070 865 -2927 -3715 -2252 3082 -4592 -4041 -27 -862 -2685 -1382 -1637 -2192 -179 358 -998 572 1270 1912 1757 1074 501 2748 1948 1662 1338 687 794 1100 1156 2064 1991 965 877 459 1980 1056 2005 1078 176 -221 -329 -639 -502 -158 167 848 907 260 -324 -325 -1631 -1361 -1582 -1029 -1027 -726 -575 -426 130 405 886 1431 1353 1051 607 655 -245 -359 -242 -259 77 692 -210 -1064 -598 -786 -284 29 -10 -377 -192 96 94 609 884 817 528 -348 -851 -461 -280 -273 -69 28 375 1403 891 233 414 34 292 246 180 -407 -159 60 -445 -496 -156 -91 56 333 -766 -83 -1076 -675 -425 -1076 -38 -666 -581 -1208 -578 -919 -1139 -215 -475 -426 -798 186 -184 39 -265 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