File name: Pandora55s1_QueensNY_20240115_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240116T050755.6Z 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_20240115_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: 20240115 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 20240115T131259.8Z 8780.550692 69 1 50.71 2 81.95 127.07 112.50 78.90 0.00 1 0.00 1 0 25 6.606e-01 2.219e-02 1.957e-01 3.601e-03 9.493401e-01 2.084920e-03 1.022575e-02 -6.000000e+00 3.965822e-01 223.76 -2.00 3.51 -2.00 321.81 0.00e+00 1.065667e-02 1.126529e-03 2.979460e-03 -6.000000e+00 1.852301e-02 275.35 -2.00 20.00 -2.00 321.39 0.00e+00 6.683 0.005 302.00 328.00 3 2.9393e-01 7.3942e-03 8.7541e-02 -6.0000e+00 9.8156e-01 6.6204e-01 1.0953e-02 6.5177e-02 -6.0000e+00 1.0753e+00 -8.5211e-01 1.1723e-02 2.8932e-02 -6.0000e+00 6.3322e-01 3.5027e-01 5.3764e-03 1.5922e-02 -6.0000e+00 2.6411e-01 1.8749e-04 -9.4521e-04 9.6773e-05 1.8113e-04 -6.0000e+00 2.0404e-02 1.7498e-02 0.0000e+00 12 9 8 11 4 0 26.09 21.86 0.28 0.01750 0.01039 103 19 1 5 0 492.210 25.90 20.00 21.86 1.93 33.9 940.74 -266854 900000 -266832 88151 900000 -180556 900000 -90506 -102679 -252188 -160518 -229534 -148253 900000 34186 -135359 -109020 900000 900000 900000 -16708 187311 -119614 3675 -75389 900000 -17184 -25499 -97228 593 68468 1138 8308 16874 900000 -874 5034 49950 156530 9708 80637 13740 36768 39661 122961 14461 60580 76612 64110 37981 21989 18049 63621 58656 28976 44792 31979 38517 21859 21493 44168 15280 -8923 22424 6843 20766 5087 11784 13397 7469 9687 15159 1863 16332 1742 10663 11364 1163 -2001 -1284 7643 534 1727 -3741 1002 -3748 -67 -3799 57 -766 -942 567 -1126 -1364 -3160 -2628 -2008 -1822 -1516 -1222 -1727 32 1361 -323 -1391 -2407 -2474 -1541 487 -977 -2461 -536 -812 -1028 -285 684 1481 740 -83 -416 184 2252 2282 865 402 1281 2449 1277 -673 751 726 1401 1142 402 -208 -94 245 -470 -960 -193 -712 -346 -782 -6794 900000 -7421 309 900000 -1827 900000 -416 -552 -6005 -1791 -6305 -2545 900000 171 -4089 -2898 900000 900000 900000 -208 657 -3980 39 -1757 900000 -229 -372 -3025 9 670 26 197 378 900000 -23 136 1033 1369 391 1827 617 1391 1491 2159 727 2088 2431 2496 2083 1568 1487 3767 3912 2660 3648 2938 3248 2076 2025 3558 1799 -1507 3198 1204 3288 957 2239 2804 1844 2510 3803 511 3627 401 2075 2153 261 -539 -412 2642 224 781 -1888 510 -2081 -37 -2227 32 -416 -489 278 -566 -743 -2004 -1937 -1710 -1749 -1570 -1272 -1714 28 1105 -262 -1183 -2170 -2354 -1571 540 -1231 -3482 -798 -1247 -1571 -425 994 2162 1121 -130 -668 289 3340 3259 1215 555 1716 3227 1788 -1067 1324 1404 2889 2484 924 -503 -237 622 -1202 -2450 -475 -1674 -765 -1680 SS 20240115T132425.7Z 8780.558631 72 1 50.41 2 80.24 129.15 110.41 80.79 0.00 1 0.00 1 0 25 6.011e-01 1.103e-02 1.267e-01 1.782e-03 8.275332e-01 9.834704e-04 9.073124e-03 -6.000000e+00 3.550627e-01 223.76 -2.00 3.51 -2.00 321.22 0.00e+00 6.726008e-03 4.692696e-04 1.767518e-03 -6.000000e+00 1.607729e-02 275.35 -2.00 20.00 -2.00 320.77 0.00e+00 5.636 0.003 302.00 328.00 3 2.4500e-01 3.2100e-03 7.2179e-02 -6.0000e+00 8.7517e-01 2.1878e-01 4.6460e-03 4.8735e-02 -6.0000e+00 9.5372e-01 -2.1006e-01 5.1593e-03 2.4866e-02 -6.0000e+00 5.6512e-01 7.5769e-02 2.4474e-03 1.2771e-02 -6.0000e+00 2.3906e-01 6.3045e-04 -2.3827e-04 4.8560e-05 1.2365e-04 -6.0000e+00 1.8412e-02 1.8137e-02 0.0000e+00 12 9 8 11 4 0 59.48 21.85 0.23 0.01814 0.01635 203 38 1 5 0 248.290 25.90 20.00 21.85 2.64 33.9 944.21 -289962 900000 -273523 -41753 -214328 -159630 900000 -150307 -161308 -214470 -168874 -200945 -152803 -1149 -11362 -130106 -96998 78219 18729 -15032 -53334 -14355 -89068 -27003 -48215 900000 -49645 -17793 -83806 -3860 -6900 -4879 -15562 -5774 43943 -16145 -11082 3823 15673 -12146 11413 -6540 4930 -153 17816 -1169 8002 10717 10604 8927 5296 5250 12063 12766 5466 7869 2922 6464 2286 3032 8514 3985 -2704 4212 1889 4079 2529 2469 4321 521 1450 2112 -766 2985 -956 1944 1648 472 -1603 -299 1227 -1180 -1007 -2167 -1309 -2401 -665 -1424 -232 107 907 402 1181 525 80 -1 -105 -429 -769 -371 -437 690 931 -118 -1490 -1010 -1096 -442 323 -171 -877 -361 -26 -266 749 743 940 351 -330 -590 -182 643 95 295 -340 614 1192 978 -20 627 263 554 273 226 -403 -164 228 -544 -537 -260 -10 -84 122 -4364 900000 -4125 -73 -1727 -786 900000 -839 -1098 -2640 -1551 -3195 -2075 -5 -68 -2868 -1803 303 140 -161 -835 -159 -2133 -390 -906 900000 -990 -269 -2544 -66 -151 -126 -503 -178 841 -562 -416 149 658 -759 636 -462 329 -11 1126 -91 606 843 906 856 590 655 1559 1770 853 1253 494 1044 375 496 1396 763 -628 1023 496 1061 681 713 1366 190 564 836 -303 1073 -326 598 496 152 -602 -130 610 -670 -617 -1418 -895 -1738 -492 -1077 -172 77 613 262 763 362 62 -1 -106 -478 -912 -440 -493 712 898 -114 -1513 -1069 -1216 -518 409 -238 -1335 -575 -42 -424 1156 1123 1427 549 -537 -976 -297 1011 146 440 -497 870 1665 1427 -33 1101 499 1107 571 493 -920 -386 543 -1311 -1289 -607 -22 -179 255 SS 20240115T133230.2Z 8780.564238 77 1 50.40 2 79.07 130.64 108.93 82.11 0.00 1 0.00 1 0 25 4.294e-01 7.685e-03 6.693e-02 1.307e-03 7.572940e-01 7.093611e-04 8.412317e-03 -6.000000e+00 2.528978e-01 223.76 -2.00 3.51 -2.00 320.86 0.00e+00 4.776659e-03 3.070085e-04 1.397889e-03 -6.000000e+00 1.111462e-02 275.35 -2.00 20.00 -2.00 320.38 0.00e+00 5.083 0.002 302.00 328.00 3 3.0543e-01 2.2092e-03 6.4742e-02 -6.0000e+00 6.2423e-01 1.4274e-01 3.0240e-03 4.2478e-02 -6.0000e+00 6.7999e-01 -9.9807e-02 3.2604e-03 2.1806e-02 -6.0000e+00 4.0291e-01 2.6711e-02 1.5898e-03 1.0261e-02 -6.0000e+00 1.7068e-01 1.0804e-03 -6.2357e-05 3.6230e-05 9.7791e-05 -6.0000e+00 1.3100e-02 1.8662e-02 0.0000e+00 11 9 0 11 4 0 90.78 21.85 0.21 0.01866 0.01819 267 50 1 5 0 188.720 25.90 20.00 21.85 3.24 34.1 947.30 -176013 900000 -196588 -151400 -55695 -171369 900000 -142082 -97495 -185111 -123420 -114176 -92414 2182 -61073 -56096 -10409 50664 -16625 9420 -33404 -10699 -53031 -25038 -28719 28396 -24946 -35430 -36375 -21978 193 -16333 -11410 -10307 19021 -12220 -7048 598 1138 -3669 116 -2661 -4457 1697 4442 -163 2552 5364 4503 1959 3893 442 6679 3651 2460 2291 1821 1228 1061 711 3167 2752 -1835 1993 -252 3703 1057 2189 1218 986 433 1015 -636 484 -5 778 1402 250 444 -575 705 -1509 -1128 -1879 -1023 -1392 -654 -737 -587 436 492 1143 1224 1519 471 471 500 -401 -440 -424 -240 366 1053 -514 -989 -1003 -774 -358 172 -143 -602 -211 -234 -185 440 1001 953 521 -407 -612 -356 135 30 52 -14 226 1461 719 116 246 128 314 191 180 -444 -94 253 -448 -555 -86 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