File name: Pandora55s1_QueensNY_20231205_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T125312.1Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20231205_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: 20231205 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 20231205T130910.3Z 8739.548036 305 1 50.37 2 80.69 130.56 41.97 226.12 0.00 1 0.00 1 0 25 7.336e-01 1.386e-02 1.587e-01 2.243e-03 8.434417e-01 1.254745e-03 9.350453e-03 -6.000000e+00 4.370480e-01 222.97 -2.00 3.51 -2.00 321.34 0.00e+00 6.683598e-03 6.357142e-04 2.001226e-03 -6.000000e+00 1.990036e-02 278.35 -2.00 20.00 -2.00 320.87 0.00e+00 5.877 0.004 302.00 328.00 3 5.7877e-01 4.2615e-03 7.4923e-02 -6.0000e+00 1.0778e+00 2.3392e-01 6.2624e-03 5.0602e-02 -6.0000e+00 1.1768e+00 -2.5388e-01 6.8131e-03 2.5173e-02 -6.0000e+00 6.9955e-01 9.5884e-02 3.1787e-03 1.2264e-02 -6.0000e+00 2.9212e-01 3.5229e-04 -1.2721e-03 6.1304e-05 1.2297e-04 -6.0000e+00 2.2366e-02 -9.8960e-04 0.0000e+00 12 9 8 11 8 0 95.16 22.86 0.23 -0.00099 -0.01055 128 24 1 5 0 393.470 26.21 19.99 22.86 9.61 34.9 966.08 -284005 -299467 900000 -313203 -124766 -38906 -224510 900000 -222006 -229112 -249644 -210166 -213703 -142874 900000 -10721 -133997 900000 900000 115843 61273 -47388 -8155 -104189 -45339 -54070 900000 -66725 -41123 -93255 -25866 12695 2617 -14876 -6547 136167 -18154 -13693 17584 44058 -7118 16389 -11729 -241 9411 30532 -3223 18677 18521 17123 8774 5986 1358 17804 18533 9584 11684 9471 10049 4208 3763 10709 6516 1713 7605 1175 9674 1013 3793 4232 1212 2570 3823 -520 4354 -790 2435 4422 733 -224 -975 2223 -850 -629 -2154 -1651 -2668 -805 -2435 -356 -815 190 562 927 203 -483 -520 -139 -711 -831 -526 -816 374 1100 -139 -1302 -1062 -1439 -582 65 -320 -1069 -313 -53 -538 420 938 1186 679 11 -704 -209 555 1013 289 11 587 1541 948 -9 472 476 686 178 413 -487 -195 176 -235 -705 -349 -275 99 -132 -2908 -4451 900000 -6238 -392 -85 -1854 900000 -2194 -2659 -3829 -2541 -3407 -1568 900000 -56 -2758 900000 900000 299 281 -632 -76 -2571 -696 -962 900000 -1404 -692 -2749 -482 205 57 -431 -183 978 -579 -471 540 1272 -381 787 -785 -15 563 1550 -231 1156 1228 1252 765 603 160 1988 2227 1323 1653 1387 1449 624 561 1574 1110 349 1647 287 2219 257 1000 1241 410 925 1392 -193 1452 -253 696 1209 220 -77 -401 1027 -455 -364 -1342 -1076 -1837 -567 -1767 -252 -562 124 350 574 134 -359 -443 -135 -766 -958 -611 -905 379 1034 -131 -1279 -1093 -1555 -665 80 -437 -1599 -492 -84 -853 645 1407 1781 1051 18 -1158 -339 867 1528 428 16 828 2135 1370 -14 826 901 1371 371 902 -1116 -461 423 -569 -1708 -825 -622 213 -278 SS 20231205T132024.9Z 8739.555843 311 1 50.52 2 79.10 132.65 43.56 229.41 0.00 1 0.00 1 0 25 4.995e-01 9.682e-03 1.251e-01 1.449e-03 7.577984e-01 7.821798e-04 8.578321e-03 -6.000000e+00 2.911258e-01 222.97 -2.00 3.51 -2.00 320.88 0.00e+00 4.659776e-03 3.478131e-04 1.591564e-03 -6.000000e+00 1.303057e-02 278.35 -2.00 20.00 -2.00 320.37 0.00e+00 5.095 0.002 302.00 328.00 3 6.0502e-01 2.4720e-03 6.4973e-02 -6.0000e+00 7.1588e-01 1.3863e-01 3.3886e-03 4.2740e-02 -6.0000e+00 7.7867e-01 -1.1404e-01 3.5648e-03 2.1322e-02 -6.0000e+00 4.6512e-01 3.5566e-02 1.7283e-03 9.3029e-03 -6.0000e+00 1.9743e-01 7.8408e-04 -1.2491e-03 3.9441e-05 9.1530e-05 -6.0000e+00 1.4891e-02 2.2761e-04 0.0000e+00 12 8 8 10 0 0 73.72 22.86 0.21 0.00023 -0.00916 216 41 1 5 0 233.830 26.21 19.99 22.86 10.57 35.2 971.41 -176105 -237230 900000 -239207 -5920 -169698 -125446 31247 -138139 -146426 -189458 -89458 -157830 -67727 -28498 -11424 -90155 -9524 25636 24429 18617 -39772 12784 -62989 -5432 -47068 96204 -45624 -18804 -50540 1928 -8043 -6271 -11422 -6213 31422 -17517 -1060 -4337 14542 -7444 6356 -7559 1132 -1424 5876 355 5301 8951 3510 6441 1552 2453 5149 8818 2196 4907 1280 2057 1404 1601 6073 1243 2244 1935 1328 3625 1740 2205 2466 839 786 998 -1370 1702 -961 1653 555 1310 -221 -160 554 -1621 -1117 -2059 -1028 -1637 -864 -1353 -505 -472 295 746 1328 1074 204 397 286 -223 -758 -247 -737 628 976 -127 -1336 -694 -976 -433 325 -276 -442 -369 133 -222 628 869 1099 430 -244 -685 -499 275 37 317 -81 509 1372 882 70 364 65 469 128 167 -261 -234 166 -414 -517 -227 -73 114 69 -1153 -3437 900000 -4115 -11 -1435 -723 44 -1131 -1435 -3020 -631 -2643 -638 -241 -103 -2022 -115 245 255 215 -811 164 -1747 -96 -1314 730 -1318 -428 -1639 44 -247 -227 -487 -263 939 -846 -50 -250 843 -612 512 -741 107 -142 564 37 552 949 422 822 232 405 907 1624 453 1031 283 448 301 343 1307 309 625 598 434 1167 576 766 949 364 366 477 -657 751 -401 620 204 500 -96 -81 316 -1051 -777 -1521 -790 -1325 -721 -1149 -424 -385 228 550 964 816 172 375 304 -261 -946 -309 -885 691 1010 -131 -1451 -783 -1151 -536 429 -398 -688 -600 218 -359 984 1327 1681 678 -398 -1143 -827 441 58 483 -122 739 1953 1297 112 633 122 916 259 354 -573 -532 382 -965 -1201 -515 -160 239 141 SS 20231205T132623.5Z 8739.559994 314 1 50.40 2 78.27 133.78 44.43 231.09 0.00 1 0.00 1 0 25 4.720e-01 7.318e-03 1.048e-01 1.165e-03 7.129214e-01 6.196502e-04 8.169974e-03 -6.000000e+00 2.751006e-01 222.97 -2.00 3.51 -2.00 320.58 0.00e+00 2.928118e-03 2.531078e-04 1.565682e-03 -6.000000e+00 1.216901e-02 278.35 -2.00 20.00 -2.00 320.06 0.00e+00 4.765 0.002 302.00 328.00 3 5.9483e-01 1.8960e-03 6.0617e-02 -6.0000e+00 6.7645e-01 9.8141e-02 2.5012e-03 3.9371e-02 -6.0000e+00 7.3580e-01 -5.9275e-02 2.5535e-03 1.9436e-02 -6.0000e+00 4.3923e-01 1.1296e-02 1.2654e-03 7.3067e-03 -6.0000e+00 1.8573e-01 1.1418e-03 -1.0553e-03 3.2115e-05 7.7771e-05 -6.0000e+00 1.4062e-02 -7.6519e-05 0.0000e+00 11 8 0 10 0 0 69.66 22.86 0.19 -0.00008 -0.00801 245 46 1 5 0 205.680 26.21 20.00 22.86 10.92 35.0 972.45 -179939 -154200 332332 -171284 -103510 -86705 -131794 16135 -103994 -107582 -123935 -94364 -90105 -86290 6873 -40053 -38400 40954 26298 1272 3392 -14079 -10119 -38218 -16440 -22178 27660 -10089 -25710 -29502 -15878 -4499 -7178 -8453 -2313 10399 -4532 -8614 2738 1651 -3303 -952 -2747 -3299 123 2730 -2104 3159 740 3945 1396 1518 218 4484 3624 1845 1809 1001 696 924 858 2996 1824 203 1568 387 2309 1280 2216 1766 103 577 174 -901 208 -175 449 1538 931 -115 -526 -74 -1169 -1247 -1666 -1593 -1244 -824 -671 -472 -33 293 920 1353 972 897 728 793 -291 -602 -299 -240 273 978 -152 -1167 -696 -882 15 70 24 -523 -232 -42 -34 605 1138 826 384 -352 -853 -359 -89 -80 -40 -159 212 1465 813 70 334 150 421 196 127 -470 -269 80 -303 -544 -71 -15 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