File name: Pandora55s1_QueensNY_20241111_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241113T112845.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241111_L1_smca1c18d20230426p1-8.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: 20241111 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20241111T141535.5Z 9081.594161 178 1 50.16 2 67.26 142.66 140.86 31.71 0.00 1 0.00 1 0 25 3.865e-01 4.115e-02 1.009e-01 8.949e-03 2.786615e-01 4.632354e-03 3.289601e-03 -6.000000e+00 2.282058e-01 223.52 -2.00 3.51 -2.00 318.55 0.00e+00 1.025877e-03 9.332652e-04 2.658269e-04 -6.000000e+00 1.024355e-02 280.90 -2.00 20.00 -2.00 317.85 0.00e+00 2.566 0.000 302.00 328.00 3 5.5904e+00 1.2484e-02 2.9048e-02 -6.0000e+00 5.6224e-01 2.6133e-03 1.4308e-02 1.4306e-02 -6.0000e+00 6.1115e-01 -2.0872e-02 9.2975e-03 6.9828e-03 -6.0000e+00 3.6509e-01 1.3626e-02 4.7014e-03 2.3013e-03 -6.0000e+00 1.5634e-01 1.1256e-04 1.5206e-03 2.9097e-04 2.7276e-05 -6.0000e+00 1.1597e-02 -3.2754e-02 0.0000e+00 12 8 8 10 0 0 100.00 23.50 0.97 -0.03275 -0.02133 46 9 2 5 0 1090.230 27.35 19.97 23.50 22.69 37.5 1028.62 900000 -33455 900000 -68349 72056 22601 9740 332374 32514 -7082 -39214 -7190 -41924 9712 152989 22355 -29877 900000 106936 74066 -4446 18678 27129 -30847 7670 -7148 135770 -3686 -8309 -23793 7262 20731 6643 -834 9159 70788 1965 -11435 18815 24379 -11127 12667 -9777 -806 -103 22872 -8167 16079 10228 9102 2316 1733 -11395 19188 17795 3244 15945 5610 9235 -971 -3617 12323 1024 -7415 4902 -10900 4322 -3778 -1779 4274 -3345 4434 4884 -5667 8335 -2091 3429 10392 -1752 -6027 -7509 9428 -2002 -1136 -5152 -1478 -6631 -2815 -5662 -378 -2320 -1566 999 2777 -262 2885 -3463 -2042 284 -377 139 -2443 234 3175 4487 651 510 -1888 165 5414 1745 -3784 1691 -912 -2477 -644 988 4468 -276 1386 -3499 -3070 2936 7100 457 1227 -1599 -316 1510 -1819 2141 2101 2705 2248 2236 -1753 461 733 -16 -2045 -1862 -1269 -653 -836 900000 -3359 900000 -9748 2724 1240 599 2900 1943 -646 -4896 -684 -5823 955 4725 2497 -5752 900000 6518 6289 -789 2720 3674 -7290 1342 -1495 7948 -746 -1681 -5335 1243 3351 1321 -188 1890 8083 424 -3065 4447 6397 -4556 4504 -4438 -347 -44 8040 -3785 5890 3903 3500 965 765 -6032 8117 7989 1712 7699 3007 4782 -545 -2085 6365 628 -5273 3268 -8369 2740 -2437 -1120 2718 -2512 3356 3814 -4851 6100 -1582 2259 5955 -1086 -4064 -5680 6786 -1746 -1045 -5163 -1522 -7575 -3270 -6925 -443 -2680 -1704 983 2518 -239 2678 -3698 -2365 351 -494 182 -3114 273 3456 4930 782 647 -2552 228 7525 2643 -6300 2739 -1481 -3873 -932 1339 5804 -385 2011 -5563 -5013 4551 10406 688 1764 -2271 -426 1997 -2584 3128 3232 4265 3635 3724 -3154 851 1393 -32 -4091 -3672 -2434 -1205 -1519 SS 20241111T142522.7Z 9081.600958 181 1 50.47 2 66.17 144.90 139.84 34.99 0.00 1 0.00 1 0 25 1.018e-02 6.038e-03 1.956e-03 5.310e-04 2.983802e-01 2.730307e-04 3.651573e-03 -6.000000e+00 5.958447e-03 223.52 -2.00 3.51 -2.00 317.67 0.00e+00 -1.764628e-05 4.395768e-05 1.163534e-04 -6.000000e+00 2.660896e-04 280.90 -2.00 20.00 -2.00 316.98 0.00e+00 2.457 0.000 302.00 328.00 3 1.7490e+00 7.1843e-04 2.8721e-02 -6.0000e+00 1.4657e-02 1.0379e-02 8.1081e-04 1.5253e-02 -6.0000e+00 1.5927e-02 4.1528e-03 5.0108e-04 7.5764e-03 -6.0000e+00 9.5106e-03 -6.9721e-03 2.5170e-04 2.1653e-03 -6.0000e+00 4.0607e-03 5.6405e-03 -6.2646e-04 1.6544e-05 2.8258e-05 -6.0000e+00 3.0540e-04 -1.4172e-02 0.0000e+00 11 1 0 11 8 0 100.00 23.45 0.16 -0.01417 -0.01888 946 179 1 5 0 53.340 27.35 20.00 23.45 23.12 37.5 1031.04 900000 -2726 -417 -5797 -2130 -2910 527 1325 1060 -1654 -1607 326 257 828 1029 -145 -1043 -784 325 543 -982 472 1039 507 217 -205 -91 -1219 321 658 1838 1634 2050 -1050 -1090 560 199 370 650 -384 -1522 -1007 -1406 -1337 -1194 -456 -1248 -688 -751 488 874 454 745 884 971 390 1084 344 739 842 1449 1523 1246 619 -642 -298 88 384 1265 1243 251 0 -615 -531 -702 -237 308 555 1350 258 148 -532 -1240 -1318 -1072 -1031 -784 -485 -429 -507 -203 376 404 1414 1424 1417 884 909 -107 -473 -464 -601 -168 675 224 -879 -329 -821 -175 -8 -101 -321 -236 -60 -172 450 743 840 567 -10 -595 -557 -173 -286 36 160 238 1285 1067 303 548 54 232 93 310 -210 -226 159 -339 -391 -254 -162 -193 137 900000 -252 -40 -577 -190 -243 43 117 106 -183 -184 37 32 109 156 -25 -198 -156 67 116 -221 106 234 119 51 -51 -23 -306 81 158 442 397 543 -306 -318 156 56 116 241 -161 -735 -496 -729 -711 -639 -242 -666 -360 -387 247 452 251 440 554 604 252 715 232 493 553 947 1033 912 469 -519 -239 69 285 927 982 212 0 -563 -484 -646 -202 249 409 956 195 119 -484 -1192 -1360 -1114 -1142 -885 -575 -524 -618 -238 428 422 1420 1400 1468 968 1059 -139 -625 -611 -782 -201 796 270 -1094 -433 -1092 -243 -11 -151 -490 -368 -91 -257 643 997 1112 778 -15 -892 -859 -265 -427 54 227 323 1723 1426 413 800 81 358 148 491 -352 -385 279 -611 -710 -455 -281 -333 230 SS 20241111T144114.5Z 9081.611974 186 1 50.68 2 64.52 148.64 138.03 40.02 0.00 1 0.00 1 0 25 9.581e-03 6.238e-03 6.114e-04 2.459e-04 2.801210e-01 1.269773e-04 3.444070e-03 -6.000000e+00 5.606844e-03 223.52 -2.00 3.51 -2.00 316.77 0.00e+00 5.971744e-05 1.624797e-05 7.275602e-05 -6.000000e+00 2.504112e-04 280.90 -2.00 20.00 -2.00 316.10 0.00e+00 2.310 0.000 302.00 328.00 3 6.1347e-01 3.2944e-04 2.6964e-02 -6.0000e+00 1.3792e-02 1.0570e-02 3.6937e-04 1.4245e-02 -6.0000e+00 1.4988e-02 -7.0293e-03 2.1729e-04 7.0763e-03 -6.0000e+00 8.9499e-03 -1.0421e-03 1.0436e-04 2.0224e-03 -6.0000e+00 3.8205e-03 2.0883e-02 -6.0712e-04 7.5639e-06 2.6943e-05 -6.0000e+00 2.8743e-04 -1.2877e-02 0.0000e+00 10 0 0 10 0 0 99.97 23.40 0.21 -0.01288 -0.01744 1136 215 1 5 0 44.410 27.26 19.99 23.40 24.28 37.7 1036.91 900000 -2658 -3160 -4694 -3341 -2031 -494 15 140 -1353 -1338 315 474 624 648 -283 -305 95 357 617 -322 791 1306 771 598 102 -521 -995 -151 1190 1418 1413 1653 -776 -1041 -169 8 397 555 -394 -1070 -900 -1120 -1027 -765 -579 -899 -646 -659 351 777 665 874 920 648 594 818 357 661 824 1376 1288 1277 682 -588 -219 -38 229 1187 1001 224 -197 -611 -486 -791 -278 83 374 1192 302 9 -592 -1435 -1363 -1113 -1130 -726 -566 -446 -571 -246 253 329 1201 1459 1321 859 874 -170 -520 -392 -552 -126 683 168 -840 -298 -737 -195 -23 -79 -297 -305 -93 -76 513 842 839 678 29 -531 -601 -246 -262 108 231 381 1395 1127 467 498 27 199 111 255 -266 -240 143 -410 -455 -280 -216 -270 108 900000 -408 -475 -703 -495 -275 -66 2 23 -223 -227 53 86 129 154 -71 -82 27 104 187 -101 249 412 253 194 35 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