File name: Pandora55s1_QueensNY_20231119_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20231120T050637.2Z 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_20231119_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: 20231119 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 20231119T124038.5Z 8723.528223 68 1 50.36 2 81.97 124.45 144.44 67.87 0.00 1 0.00 1 0 25 6.247e-01 2.125e-02 1.647e-01 3.613e-03 7.902106e-01 2.093208e-03 8.733938e-03 -6.000000e+00 3.802196e-01 223.21 -2.00 3.51 -2.00 321.55 0.00e+00 5.929479e-03 1.139313e-03 9.886989e-04 -6.000000e+00 1.901814e-02 280.11 -2.00 20.00 -2.00 321.07 0.00e+00 6.698 0.005 302.00 328.00 3 5.6290e-01 7.5115e-03 7.9035e-02 -6.0000e+00 9.4243e-01 3.0809e-01 1.0918e-02 4.5279e-02 -6.0000e+00 1.0346e+00 -4.3937e-01 1.1257e-02 2.3998e-02 -6.0000e+00 6.0808e-01 1.8507e-01 5.1693e-03 1.0525e-02 -6.0000e+00 2.5357e-01 1.8377e-04 -8.9552e-04 1.0690e-04 1.2855e-04 -6.0000e+00 1.9766e-02 9.5046e-03 0.0000e+00 12 9 9 12 4 4 -1.80 12.08 0.34 0.00950 0.00278 90 17 1 5 0 559.520 26.21 20.00 12.08 11.30 34.8 971.63 -224777 900000 -268104 900000 900000 -182006 900000 900000 -131023 -231942 -120108 -199642 -248532 900000 208399 -121492 900000 900000 900000 900000 900000 131735 -101265 11888 -29011 900000 1648 4087 -83115 19299 42239 24606 63 8967 900000 -5556 -11203 71851 85696 -483 47362 -4557 23437 11189 98594 4163 40872 48146 48311 19298 14450 222 45480 39741 16376 30585 24859 22555 12452 18403 26213 12063 -770 17658 -1202 18309 4857 5384 8584 1055 8586 8177 54 10560 1728 4564 9980 117 -435 -3474 5431 -351 -1235 -3587 -1762 -4973 -1922 -3598 486 -1103 -1210 372 1181 -689 84 -2014 -1156 -1228 -1542 -1188 -1541 266 1377 332 -1719 -1386 -2284 -1099 464 -353 -2015 -228 -229 -468 -35 1147 1804 582 -219 -1100 -85 1207 2130 732 352 760 1781 1059 -187 774 726 1195 863 432 -306 27 87 -329 -1008 -570 -389 -385 -226 -3245 900000 -6626 900000 900000 -1788 900000 900000 -1008 -5029 -994 -4380 -11243 900000 732 -3144 900000 900000 900000 900000 900000 463 -3128 133 -510 900000 22 54 -2642 268 575 479 2 236 900000 -168 -399 1383 1730 -25 1759 -293 1217 666 2657 278 2024 2359 2535 1454 1271 25 3667 3657 1967 3365 2917 2671 1581 2206 3056 1779 -145 3141 -269 3449 1054 1229 2124 313 2573 2539 18 2952 481 1135 2286 31 -131 -1272 2125 -164 -632 -1992 -1019 -3115 -1225 -2378 308 -687 -720 208 650 -408 55 -1552 -1015 -1207 -1635 -1272 -1576 246 1183 285 -1567 -1330 -2320 -1181 537 -456 -2889 -341 -349 -707 -52 1624 2559 859 -339 -1755 -134 1822 3100 1050 495 1040 2382 1480 -288 1316 1342 2336 1771 934 -698 64 209 -799 -2463 -1354 -888 -835 -476 SS 20231119T125211.3Z 8723.536242 71 1 50.48 2 80.19 126.54 142.47 70.62 0.00 1 0.00 1 0 25 4.737e-01 8.882e-03 1.221e-01 1.746e-03 6.796291e-01 9.531106e-04 7.667815e-03 -6.000000e+00 2.805699e-01 223.21 -2.00 3.51 -2.00 320.86 0.00e+00 3.679736e-03 4.286311e-04 1.052852e-03 -6.000000e+00 1.253066e-02 280.10 -2.00 20.00 -2.00 320.33 0.00e+00 5.608 0.003 302.00 328.00 3 4.5767e-01 3.0540e-03 6.6281e-02 -6.0000e+00 6.9149e-01 5.7292e-02 4.1556e-03 3.7604e-02 -6.0000e+00 7.5343e-01 -4.2923e-02 4.2830e-03 1.9188e-02 -6.0000e+00 4.4817e-01 8.2082e-03 2.0746e-03 8.1764e-03 -6.0000e+00 1.9029e-01 6.4827e-04 -1.7454e-04 5.0792e-05 8.3361e-05 -6.0000e+00 1.4513e-02 9.0894e-03 0.0000e+00 12 9 1 12 4 4 15.18 11.96 0.26 0.00909 0.00778 182 34 1 5 0 277.290 26.21 20.02 11.96 12.32 35.0 978.23 -131977 900000 -179315 -100399 262645 -157439 900000 -88802 -89009 -149021 -105275 -115044 -163443 900000 -39919 -63486 900000 155527 34843 36598 -28084 19181 -49657 -22184 -12390 108550 -16777 -38162 -38671 -16793 3416 -10698 -13183 -6023 26847 -8758 -10472 4583 3912 -4684 -632 -5535 -4718 1067 8061 -3799 5097 1905 6906 1164 2828 -2892 8402 6142 3547 3530 722 2402 532 1461 4494 2355 -834 3720 -777 4319 634 2101 909 359 754 1356 -1196 1026 121 1044 2325 521 359 -938 994 -1234 -999 -1469 -1307 -1756 -1132 -801 -654 345 94 1207 1322 1168 761 368 320 -345 -264 -426 -637 17 960 -189 -1042 -941 -1032 -513 197 137 -615 -269 -136 179 690 1213 922 442 -318 -954 -961 169 208 -43 167 321 1443 799 15 538 242 499 395 152 -506 18 -62 -435 -639 -127 -196 150 300 -836 900000 -2090 -534 447 -1469 900000 -545 -609 -1968 -1027 -1508 -4337 900000 -527 -1225 900000 460 359 390 -568 256 -1348 -510 -279 812 -415 -1156 -1229 -494 100 -422 -597 -266 868 -410 -562 256 264 -395 -57 -560 -495 110 797 -430 551 223 824 159 422 -506 1447 1167 727 756 162 528 117 320 1005 593 -242 1141 -259 1375 209 719 347 153 347 639 -569 454 50 396 838 198 152 -466 552 -778 -678 -1059 -988 -1401 -935 -673 -547 278 73 879 944 867 623 339 330 -393 -318 -518 -742 18 974 -194 -1119 -1057 -1209 -633 259 195 -946 -429 -220 283 1051 1793 1369 677 -508 -1569 -1579 270 323 -65 247 464 2037 1164 24 920 443 953 783 315 -1097 39 -140 -1003 -1474 -286 -428 314 615 SS 20231119T125953.1Z 8723.541587 76 1 50.45 2 79.03 127.95 141.14 72.36 0.00 1 0.00 1 0 25 2.610e-01 7.173e-03 8.487e-02 1.230e-03 6.236939e-01 6.537579e-04 7.155997e-03 -6.000000e+00 1.524540e-01 223.21 -2.00 3.51 -2.00 320.43 0.00e+00 2.399059e-03 2.561165e-04 9.382273e-04 -6.000000e+00 6.798158e-03 280.10 -2.00 20.00 -2.00 319.86 0.00e+00 5.067 0.002 302.00 328.00 3 3.8591e-01 1.9789e-03 5.9906e-02 -6.0000e+00 3.7485e-01 4.7643e-02 2.5499e-03 3.3663e-02 -6.0000e+00 4.0763e-01 -2.6333e-02 2.4817e-03 1.6784e-02 -6.0000e+00 2.4335e-01 5.5201e-04 1.2402e-03 6.3066e-03 -6.0000e+00 1.0374e-01 1.2250e-03 -1.7874e-04 3.5690e-05 6.6720e-05 -6.0000e+00 7.8300e-03 9.5292e-03 0.0000e+00 12 9 1 12 4 4 11.19 11.90 0.23 0.00953 0.00819 260 49 1 5 0 194.010 26.21 20.01 11.90 13.22 35.2 981.99 -108945 103220 -116304 -54146 -76667 -72737 -9786 -47196 -74989 -91343 -85669 -75439 -92711 20371 -29822 -22772 1524 11687 8654 -5833 -1397 -11242 -23519 -15440 -9053 16898 -13271 -14947 -19467 -1014 -1356 562 -7578 395 9170 -4462 -9129 11 -39 -3042 675 -5329 -1407 -2736 3975 -2791 3278 928 4442 951 1322 -459 3763 3405 1113 2185 105 2188 -50 1911 2198 1823 37 1260 370 2120 1000 1916 1954 -522 107 -436 -726 -349 42 313 1843 1140 -39 -494 -126 -1184 -1410 -1158 -1284 -1253 -833 -839 -556 85 656 909 1751 1255 1113 453 705 -371 -410 -265 -452 2 1091 -179 -1148 -657 -1100 29 162 51 -536 -41 -19 154 719 933 918 286 -428 -974 -466 -102 -182 -173 -125 297 1388 986 43 510 102 426 107 297 -418 -173 102 -415 -539 -222 -82 39 408 -1056 146 -1395 -366 -627 -595 -48 -386 -825 -1278 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