File name: Pandora55s1_QueensNY_20240205_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240214T155422.3Z 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_20240205_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: 20240205 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 20240205T125415.3Z 8801.537677 168 1 50.44 2 81.80 119.41 68.75 179.86 0.00 1 0.00 1 0 25 7.902e-01 1.780e-02 1.933e-01 2.850e-03 1.012405e+00 1.670620e-03 1.079513e-02 -6.000000e+00 4.805746e-01 224.53 -2.00 3.51 -2.00 321.90 0.00e+00 8.773965e-03 9.270170e-04 5.263672e-03 -6.000000e+00 2.216450e-02 275.27 -2.00 20.00 -2.00 321.48 0.00e+00 6.582 0.005 302.00 328.00 3 -6.4092e-02 6.0578e-03 9.3289e-02 -6.0000e+00 1.1970e+00 5.3533e-01 9.7655e-03 7.8408e-02 -6.0000e+00 1.3124e+00 -6.8656e-01 1.1117e-02 3.3251e-02 -6.0000e+00 7.7036e-01 2.8039e-01 5.0053e-03 1.5355e-02 -6.0000e+00 3.1910e-01 2.8408e-04 -6.3614e-04 7.4954e-05 1.6099e-04 -6.0000e+00 2.4926e-02 1.6537e-02 0.0000e+00 12 9 8 11 4 0 -7.97 22.62 0.22 0.01654 0.01176 155 29 1 5 0 325.350 25.90 19.98 22.62 5.69 34.6 1013.22 -339370 900000 -350657 900000 -236162 -215920 900000 900000 -208333 -295492 -204400 -258478 -221815 900000 81081 -150688 900000 900000 900000 -1643 10582 73121 -140164 17922 -106951 900000 -98180 -10152 -148508 62083 -4525 -39106 -42011 30894 900000 -35676 -11268 33110 107561 3066 68761 -11440 36008 22971 112139 1374 48040 44220 44305 18807 19121 12635 42597 51154 20377 40726 23938 26703 16812 14602 32821 12065 -8179 20034 7173 15714 7020 10395 9420 8789 10607 11221 1679 11564 3014 8345 4530 2455 -716 -1670 5194 323 1237 -1464 88 -2935 -951 -2538 579 -513 -570 349 603 -43 -760 -1837 -1524 -1156 -1486 -828 -1024 437 1419 -248 -2343 -1618 -1921 -792 -113 -988 -1813 -899 -704 -1002 569 943 1255 279 -443 -602 48 1326 1286 857 364 1006 2033 1080 -216 857 732 1001 447 537 -372 -100 382 -718 -571 -245 -189 -89 -797 -5814 900000 -7580 900000 -1530 -1148 900000 900000 -1281 -4510 -1513 -4190 -3516 900000 225 -2559 900000 900000 900000 -9 53 203 -3121 94 -1933 900000 -1673 -76 -4555 313 -56 -830 -1039 399 900000 -864 -243 558 1065 94 1260 -474 1005 743 1615 58 1402 1455 1606 968 1113 879 2485 2997 1670 2882 1988 2116 1408 1236 2473 1242 -1174 2527 1098 2293 1156 1799 1855 1948 2483 2664 420 2444 624 1510 838 506 -178 -506 1736 129 535 -690 43 -1540 -509 -1402 307 -264 -280 164 289 -22 -461 -1322 -1270 -1087 -1515 -849 -995 381 1128 -197 -1957 -1415 -1775 -783 -124 -1227 -2522 -1332 -1075 -1530 843 1372 1840 424 -700 -962 74 1952 1822 1189 497 1334 2657 1505 -340 1509 1421 2074 983 1244 -909 -253 974 -1853 -1459 -605 -444 -197 -1707 SS 20240205T131145.6Z 8801.549833 173 1 50.53 2 78.96 122.55 68.88 183.89 0.00 1 0.00 1 0 25 5.427e-01 8.125e-03 5.624e-02 1.087e-03 8.121714e-01 5.930330e-04 8.979007e-03 -6.000000e+00 3.181935e-01 224.53 -2.00 3.51 -2.00 320.97 0.00e+00 4.584291e-03 2.647390e-04 1.473384e-03 -6.000000e+00 1.403806e-02 275.27 -2.00 20.00 -2.00 320.51 0.00e+00 5.037 0.002 302.00 328.00 3 -6.8888e-02 1.8603e-03 6.6478e-02 -6.0000e+00 7.8595e-01 1.4661e-01 2.6225e-03 4.5625e-02 -6.0000e+00 8.5498e-01 -1.1425e-01 2.9031e-03 2.3692e-02 -6.0000e+00 5.0876e-01 3.3684e-02 1.4010e-03 1.0754e-02 -6.0000e+00 2.1618e-01 1.5379e-03 -3.0123e-06 2.9167e-05 1.0399e-04 -6.0000e+00 1.6285e-02 1.7084e-02 0.0000e+00 11 9 0 11 4 0 10.10 22.62 0.23 0.01708 0.01706 373 71 1 5 0 135.440 25.90 19.98 22.62 6.62 34.6 1017.21 -245386 900000 -240424 -125574 -182366 -185316 -113962 -155443 -152184 -205772 -135846 -168255 -114213 -59179 -42955 -91118 -62930 -4729 -15111 -24940 -32759 -11252 -60217 -14190 -46053 29251 -38494 -30979 -51471 -24224 -13834 -13911 -11637 -11763 7881 -19658 -5716 -5602 615 -7573 2552 -3758 -923 127 5560 1161 1033 6486 4108 4493 2996 3718 5615 7122 2728 2893 1748 1202 971 1224 3828 1405 -294 2286 1580 2250 1794 2346 2112 1235 650 972 -679 812 -422 1368 229 818 -395 -36 300 -1648 -1014 -1666 -1033 -1264 -736 -915 -145 281 668 893 1395 993 498 330 375 -285 -561 -211 -414 319 845 -405 -1261 -914 -903 -482 -44 -274 -535 -348 -51 -99 675 931 880 580 -318 -673 -246 111 -178 80 -36 482 1465 958 149 349 183 366 136 215 -437 -236 143 -421 -553 -160 -10 145 149 -2458 900000 -2710 -479 -1089 -1316 -447 -1054 -1113 -2577 -1080 -2156 -1155 -508 -401 -1510 -909 -47 -181 -315 -458 -144 -1236 -202 -976 335 -797 -606 -1334 -567 -366 -450 -419 -442 242 -831 -241 -288 36 -521 178 -301 -76 11 455 103 97 617 436 529 407 567 861 1170 499 551 343 234 185 232 750 318 -78 664 489 699 572 800 758 507 291 445 -307 336 -160 500 82 311 -163 -18 163 -1039 -697 -1232 -755 -978 -592 -750 -116 215 511 648 999 763 412 303 401 -330 -704 -264 -486 353 853 -411 -1357 -1037 -1025 -590 -57 -401 -829 -576 -81 -162 1057 1409 1338 919 -532 -1100 -413 178 -272 124 -53 693 2049 1418 239 609 341 733 278 468 -979 -532 328 -981 -1277 -369 -21 303 301 SS 20240205T131740.3Z 8801.553939 176 1 50.48 2 78.02 123.64 68.97 185.25 0.00 1 0.00 1 0 25 4.082e-01 7.086e-03 4.342e-02 8.686e-04 7.575083e-01 4.673888e-04 8.475421e-03 -6.000000e+00 2.393494e-01 224.53 -2.00 3.51 -2.00 320.69 0.00e+00 3.487005e-03 1.934480e-04 1.289439e-03 -6.000000e+00 1.042261e-02 275.27 -2.00 20.00 -2.00 320.21 0.00e+00 4.672 0.002 302.00 328.00 3 -7.1897e-02 1.4261e-03 6.1444e-02 -6.0000e+00 5.9120e-01 1.1613e-01 1.9113e-03 4.1519e-02 -6.0000e+00 6.4313e-01 -8.0763e-02 2.0278e-03 2.1130e-02 -6.0000e+00 3.8243e-01 2.0526e-02 1.0000e-03 8.8137e-03 -6.0000e+00 1.6165e-01 2.3115e-03 6.0773e-05 2.3618e-05 8.6240e-05 -6.0000e+00 1.2248e-02 1.7167e-02 0.0000e+00 11 9 0 11 4 0 14.03 22.61 0.20 0.01717 0.01762 464 88 1 5 0 108.770 26.00 19.99 22.61 6.65 34.6 1017.69 -172626 -54377 -178739 -135549 -150842 -130692 -111873 -68607 -145366 -125741 -115345 -101583 -99057 -34753 -51359 -52374 -50126 -9293 -2693 -28348 -13022 -28819 -32729 -25407 -25522 314 -23181 -19836 -31668 -12976 -11872 -4664 -13136 -2343 -244 -6192 -7892 -2535 -730 -4165 623 -3800 519 -2339 4538 -2234 3670 1823 3510 2494 2595 2412 3060 4077 1577 3019 186 1449 126 1587 2295 2284 597 1201 1044 1666 1842 1708 2163 830 587 97 -377 -248 49 538 861 1036 -239 4 -192 -1313 -1416 -1443 -1323 -1164 -801 -499 -336 111 750 697 1458 927 786 422 565 -403 -411 -82 -366 319 741 -96 -1252 -582 -953 -127 -92 -131 -613 -315 -62 67 697 1007 822 344 -327 -725 -370 54 -196 100 -57 414 1458 853 79 423 3 473 142 156 -417 -205 197 -462 -490 -232 10 40 312 -1521 -166 -1776 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