File name: Pandora55s1_QueensNY_20210123_L2Fit_fout2c11d20210101p1-8.txt File generation date: 20260625T175259.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v11d20210101.txt Level 1 file used: Pandora55s1_QueensNY_20210123_L1_smca1c11d20210101p1-8.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: 20210123 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0145 305.1546 305.2946 305.4346 305.5746 305.7145 305.8545 305.9945 306.1344 306.2744 306.4143 306.5542 306.6941 306.8340 306.9739 307.1138 307.2536 307.3935 307.5333 307.6732 307.8130 307.9528 308.0926 308.2324 308.3722 308.5120 308.6517 308.7915 308.9312 309.0710 309.2107 309.3504 309.4901 309.6298 309.7695 309.9091 310.0488 310.1884 310.3281 310.4677 310.6073 310.7469 310.8865 311.0261 311.1657 311.3053 311.4448 311.5844 311.7239 311.8634 312.0029 312.1424 312.2819 312.4214 312.5609 312.7003 312.8398 312.9792 313.1187 313.2581 313.3975 313.5369 313.6763 313.8156 313.9550 314.0944 314.2337 314.3730 314.5124 314.6517 314.7910 314.9303 315.0695 315.2088 315.3481 315.4873 315.6265 315.7658 315.9050 316.0442 316.1834 316.3226 316.4617 316.6009 316.7401 316.8792 317.0183 317.1574 317.2966 317.4357 317.5747 317.7138 317.8529 317.9919 318.1310 318.2700 318.4090 318.5481 318.6871 318.8260 318.9650 319.1040 319.2429 319.3819 319.5208 319.6598 319.7987 319.9376 320.0765 320.2153 320.3542 320.4931 320.6319 320.7708 320.9096 321.0484 321.1872 321.3260 321.4648 321.6036 321.7423 321.8811 322.0198 322.1586 322.2973 322.4360 322.5747 322.7134 322.8520 322.9907 323.1294 323.2680 323.4066 323.5453 323.6839 323.8225 323.9611 324.0996 324.2382 324.3768 324.5153 324.6538 324.7924 324.9309 --------------------------------------------------------------------------------------- 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 20210123T130359.1Z 7693.544434 156 1 22.27 2 82.36 123.77 120.67 4.71 0.00 1 0.00 1 0 25 7.511e-01 3.053e-02 3.000e-01 7.793e-03 1.080408e+00 4.653405e-03 1.199661e-02 -6.000000e+00 4.531807e-01 224.05 -2.00 3.51 -2.00 322.09 0.00e+00 2.863238e-03 2.535782e-03 7.923442e-03 -6.000000e+00 2.153543e-02 275.31 -2.00 20.00 -2.00 321.68 0.00e+00 6.995 0.006 302.00 328.00 3 4.4406e-01 1.6917e-02 1.0091e-01 -6.0000e+00 1.1210e+00 1.2994e+00 2.3139e-02 8.3393e-02 -6.0000e+00 1.2261e+00 -1.6881e+00 2.1507e-02 3.7797e-02 -6.0000e+00 7.2527e-01 6.7408e-01 1.0051e-02 1.0315e-02 -6.0000e+00 3.0425e-01 9.4533e-05 -2.4498e-03 2.0265e-04 2.0240e-04 -6.0000e+00 2.3691e-02 -1.9924e-03 5.0128e-05 12 9 9 12 1 1 10.18 22.80 0.29 -0.00199 -0.02040 27 12 1 5 0 788.870 25.68 20.00 22.80 3.02 26.3 1008.11 -130692 900000 900000 -143992 428520 900000 -45770 900000 58097 20191 -187318 45509 -99705 30642 900000 48769 -71457 -23048 900000 900000 900000 900000 19152 -50934 -56871 -32093 900000 46326 28084 -83928 -37221 170209 15448 30699 149753 900000 43626 49007 900000 313776 44316 116437 11359 23845 81341 900000 15945 246356 141654 107541 16768 56225 55134 184959 128695 84827 136321 87164 97472 41125 37021 94547 25988 4282 49067 8485 47242 20944 48249 27213 3943 16960 39061 8866 23651 1572 26931 38440 -2197 9895 8806 21808 5192 6228 -1208 4083 -3817 1782 -5601 2937 1014 -3124 3107 -1262 -6151 -186 -6679 -4523 -4938 -4133 -2430 -2464 -1683 39 -797 -5469 -1899 89 -1589 -379 -2127 -4091 -762 -1348 -1186 5 1540 2386 -1246 44 -911 228 3254 4783 153 2553 1764 2384 1095 -725 908 1587 1764 1161 919 -636 603 517 621 -2738 139 -573 -671 -1795 -4804 900000 900000 -6468 3249 900000 -578 900000 440 153 -9650 345 -2898 325 900000 653 -3371 -746 900000 900000 900000 900000 370 -1927 -2357 -1066 900000 675 464 -4095 -1343 1290 491 925 1445 900000 1073 1228 900000 2379 1750 2504 676 1274 2487 900000 883 1868 2606 2950 1180 3047 3353 3613 4573 4759 4850 4876 4761 3178 2838 4324 2475 567 4857 1304 5204 3041 5861 4477 895 3653 6943 1997 4247 309 3785 4734 -425 1991 2161 5609 1776 2321 -512 1729 -1812 827 -2810 1347 454 -1380 1251 -537 -2993 -100 -4472 -3476 -4340 -3939 -2322 -2237 -1372 28 -571 -4228 -1495 73 -1431 -378 -2466 -5448 -1074 -1991 -1762 7 2172 3380 -1872 68 -1430 345 4592 6397 207 3310 2260 3010 1484 -1123 1589 3072 3694 2593 2181 -1604 1565 1363 1639 -7330 352 -1378 -1506 -3896 SS 20210123T131548.2Z 7693.552641 159 1 50.42 2 80.52 125.89 120.41 7.80 0.00 1 0.00 1 0 25 8.115e-01 1.165e-02 2.096e-01 1.876e-03 9.338993e-01 1.052287e-03 1.034053e-02 -6.000000e+00 4.772201e-01 224.05 -2.00 3.51 -2.00 321.54 0.00e+00 5.652521e-03 5.396565e-04 4.745133e-03 -6.000000e+00 2.099013e-02 275.31 -2.00 20.00 -2.00 321.11 0.00e+00 5.786 0.003 302.00 328.00 3 1.3274e-01 3.6020e-03 8.1441e-02 -6.0000e+00 1.1794e+00 2.4847e-01 5.6691e-03 6.5160e-02 -6.0000e+00 1.2848e+00 -2.7441e-01 6.5532e-03 2.9687e-02 -6.0000e+00 7.6511e-01 1.0342e-01 3.0183e-03 1.1534e-02 -6.0000e+00 3.2127e-01 5.4791e-04 -1.4895e-03 4.8516e-05 1.2468e-04 -6.0000e+00 2.4258e-02 -2.1728e-03 3.0806e-05 12 8 8 10 0 0 15.43 22.80 0.25 -0.00217 -0.01337 229 43 1 5 0 220.120 25.68 20.02 22.80 3.52 26.3 1011.51 -350421 -185663 900000 -359299 -198823 -227438 -220377 -63877 -178516 -243035 -319385 -208505 -239976 -84841 900000 -113101 -128479 116582 900000 39079 11887 -50924 -80289 -86859 -85852 -76269 187285 -47647 -85320 -110492 -61212 2239 -22152 -38265 -11203 97579 -24260 -17981 14089 12888 -7706 5258 -6690 -11840 5357 28492 -4345 13458 13547 13014 -1802 8190 1954 18735 16279 9340 11120 7142 6660 5641 5041 9871 3150 534 6967 1065 8515 2306 6411 4355 -114 1569 2214 348 2074 446 2472 3284 -759 1466 177 1950 -483 -780 -1491 -645 -1338 -835 -1661 -493 531 400 1169 879 -112 43 -599 -168 -746 -904 -676 -251 151 1026 -362 -1431 -1151 -904 -284 -312 -289 -906 -289 -409 -90 574 1153 911 544 -293 -930 6 310 483 -81 121 337 1585 979 -88 476 252 641 354 366 -483 -67 160 -336 -1037 -21 -90 154 -8 -3341 -436 900000 -5772 -671 -921 -930 -117 -628 -1682 -5256 -1334 -2758 -310 900000 -986 -1493 213 900000 132 55 -451 -912 -1134 -1222 -1066 342 -570 -1415 -2583 -1063 29 -419 -985 -231 727 -589 -467 324 367 -318 215 -335 -615 260 1131 -234 693 757 755 -137 647 188 1704 1663 1094 1341 913 843 700 624 1231 447 91 1269 222 1694 506 1468 1157 -34 499 719 112 643 127 625 804 -209 464 65 840 -246 -417 -860 -391 -861 -557 -1139 -330 337 239 666 504 -70 31 -495 -155 -798 -1009 -761 -277 148 951 -333 -1392 -1122 -934 -317 -374 -399 -1362 -448 -657 -143 875 1778 1416 843 -477 -1553 9 494 729 -118 171 484 2215 1394 -138 867 499 1324 756 841 -1154 -166 392 -834 -2567 -51 -213 335 -18 SS 20210123T133423.5Z 7693.565549 173 1 50.92 2 77.73 129.34 119.77 12.62 0.00 1 0.00 1 0 25 4.302e-01 7.463e-03 4.161e-02 8.643e-04 7.485408e-01 4.618865e-04 8.530847e-03 -6.000000e+00 2.516140e-01 224.05 -2.00 3.51 -2.00 320.67 0.00e+00 3.031558e-03 1.887170e-04 1.910493e-03 -6.000000e+00 1.095223e-02 275.31 -2.00 20.00 -2.00 320.19 0.00e+00 4.570 0.002 302.00 328.00 3 1.0081e-01 1.4028e-03 6.0686e-02 -6.0000e+00 6.2082e-01 1.0442e-01 1.8735e-03 4.1921e-02 -6.0000e+00 6.7526e-01 -7.9050e-02 1.9740e-03 2.0627e-02 -6.0000e+00 4.0203e-01 2.0675e-02 9.7660e-04 7.4184e-03 -6.0000e+00 1.6903e-01 2.1618e-03 -1.1688e-03 2.3479e-05 8.0862e-05 -6.0000e+00 1.2817e-02 -2.4584e-03 2.0480e-05 11 8 0 10 0 0 36.42 22.80 0.20 -0.00246 -0.01124 467 88 1 5 0 107.860 25.68 20.02 22.80 4.12 26.3 1013.70 -177266 -139465 -41893 -169557 -130326 -154303 -163143 -103971 -133764 -107910 -142592 -103836 -124962 -53778 -39132 -44665 -47442 -47017 -2721 -18918 -4382 -26802 -14540 -38396 -21811 -28271 -3876 -21349 -24950 -25449 -19271 -2523 -8141 -6099 -8837 9004 -10104 -5817 -1253 878 -2379 -1951 -2499 -2369 2204 2704 1907 2361 3021 2008 1683 3111 1951 4337 3202 2228 1857 1574 361 793 2032 2510 1727 1221 1114 1026 2873 1170 2732 1445 560 -124 56 -697 -169 -226 555 1198 740 259 -292 71 -1557 -1266 -1493 -1238 -1343 -666 -784 -422 328 542 1036 1200 1146 811 586 499 -279 -702 -277 -201 324 921 -223 -1143 -899 -830 -251 0 -309 -455 -215 -27 24 685 1059 897 510 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