File name: Pandora55s1_QueensNY_20211125_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105108.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211125_L1_smca1c19d20211111p1-8.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: 20211125 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]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20211125T124819.9Z 7999.533564 289 1 49.80 2 82.09 126.43 45.21 260.82 0.00 1 0.00 1 0 25 5.347e-01 1.910e-02 1.723e-01 3.821e-03 7.368352e-01 2.183774e-03 8.361258e-03 -6.000000e+00 3.220724e-01 223.12 -2.00 3.51 -2.00 321.45 0.00e+00 6.973797e-03 1.139188e-03 3.924683e-03 -6.000000e+00 1.631549e-02 279.45 -2.00 20.00 -2.00 320.95 0.00e+00 6.786 0.006 302.00 328.00 3 5.7459e-01 7.6061e-03 8.1984e-02 -6.0000e+00 7.9795e-01 2.3453e-01 1.0889e-02 5.3867e-02 -6.0000e+00 8.7660e-01 -2.6696e-01 1.1338e-02 2.1414e-02 -6.0000e+00 5.1570e-01 1.0215e-01 5.2737e-03 1.0387e-02 -6.0000e+00 2.1427e-01 1.7544e-04 -3.1243e-03 1.1421e-04 9.4621e-05 -6.0000e+00 1.6646e-02 3.0359e-03 -1.7449e-04 12 8 8 10 0 0 -9.74 22.69 0.39 0.00304 -0.02044 77 15 1 5 0 646.610 25.58 19.99 22.69 10.95 29.7 970.12 105359 900000 900000 -278104 900000 900000 -164221 900000 900000 -82066 -252363 -93499 -216266 -182526 900000 12784 -150148 900000 900000 900000 900000 -35999 3353 -79824 -8816 -38434 900000 78145 -25584 -97195 9964 25669 29849 -60184 15870 900000 -1650 6019 105346 33424 4934 13622 -18434 7398 7444 57282 -13720 47546 18824 46878 16625 4062 2264 29280 29583 12971 24718 12323 22638 2279 12514 16790 11262 -1890 12421 -2384 16685 4310 7644 6231 -2009 928 5774 -586 8290 1405 6666 9384 4136 1373 -2494 2083 807 -484 -3839 -1958 -2509 -1286 -2870 -921 -2209 -1741 -855 1366 -202 -625 -2270 -1262 -865 -2481 -584 -30 649 2359 1626 -1636 -1013 -1757 319 815 -236 -1996 -204 -246 -859 332 794 2226 207 38 -1024 -331 890 1715 40 755 153 1919 806 -608 514 358 1367 860 591 -645 154 99 -420 -700 -733 -258 -114 -196 392 900000 900000 -6860 900000 900000 -1277 900000 900000 -375 -6471 -588 -5617 -4533 900000 77 -5124 900000 900000 900000 900000 -571 37 -2078 -125 -765 900000 517 -468 -3781 164 445 594 -3094 410 900000 -52 200 1622 1215 269 753 -1465 484 500 2496 -1196 2445 1338 2761 1424 437 275 3017 3271 1754 3118 1757 2906 347 1749 2393 1893 -406 2587 -591 3476 1024 1874 1736 -672 324 1972 -207 2538 420 1760 2354 1156 450 -993 917 402 -264 -2286 -1213 -1645 -868 -2001 -627 -1467 -1097 -511 797 -127 -440 -1855 -1167 -886 -2731 -635 -31 608 2053 1435 -1557 -1010 -1851 353 977 -316 -2932 -310 -377 -1297 481 1124 3139 307 59 -1636 -522 1347 2516 58 1062 211 2578 1139 -953 883 664 2654 1751 1263 -1455 357 235 -1009 -1682 -1716 -578 -243 -412 SS 20211125T130807.5Z 7999.547310 295 1 48.69 2 79.15 130.05 48.87 264.34 0.00 1 0.00 1 0 25 1.952e-01 7.033e-03 5.195e-02 1.357e-03 5.810078e-01 7.112916e-04 6.783381e-03 -6.000000e+00 1.134041e-01 223.12 -2.00 3.51 -2.00 320.30 0.00e+00 2.381664e-03 2.634482e-04 1.120364e-03 -6.000000e+00 5.050399e-03 279.45 -2.00 20.00 -2.00 319.72 0.00e+00 5.116 0.002 302.00 328.00 3 4.9277e-01 2.1192e-03 5.9163e-02 -6.0000e+00 2.7881e-01 6.8489e-02 2.6578e-03 3.1517e-02 -6.0000e+00 3.0362e-01 -3.5597e-02 2.4906e-03 1.5321e-02 -6.0000e+00 1.8131e-01 2.6253e-03 1.2594e-03 5.0611e-03 -6.0000e+00 7.6390e-02 1.0947e-03 -2.0398e-03 4.0049e-05 5.8740e-05 -6.0000e+00 5.8231e-03 2.2937e-03 -9.3978e-05 11 9 0 11 8 0 72.28 22.69 0.24 0.00229 -0.01303 207 39 1 5 0 235.160 25.58 20.02 22.69 12.46 30.0 978.43 -32566 -53077 47270 -119303 -62667 -60865 -54674 6837 -31467 -45170 -86985 -25210 -65369 -52676 -4393 -7638 -29852 5214 16381 162 4040 -12295 1597 -14059 -4297 -10966 13515 -7427 -10588 -20646 -1561 45 -1272 -8734 -2865 10522 -5289 -1403 2485 295 -3152 -1405 -3367 -1515 -595 3062 -1225 1866 1804 2612 2124 89 855 2728 2179 1259 1680 405 954 605 1140 2802 1695 686 576 163 2199 870 2346 1311 89 -437 -4 -1152 -33 -103 661 1283 1054 362 -213 -116 -1412 -1449 -1596 -1127 -1316 -632 -525 -291 -141 439 747 1358 1353 939 696 454 -245 -678 -426 -453 273 1212 -60 -1069 -701 -913 1 296 -176 -485 -295 -43 25 855 1102 1054 428 -388 -817 -432 -112 -91 61 -134 313 1420 838 -69 260 75 237 324 173 -291 -283 65 -401 -521 -188 0 194 233 -200 -477 183 -2279 -646 -599 -533 44 -312 -564 -1769 -308 -1440 -1295 -84 -181 -943 138 423 5 122 -447 52 -576 -174 -508 505 -340 -495 -1108 -78 3 -87 -661 -221 703 -436 -120 249 36 -462 -223 -546 -250 -100 536 -215 326 327 494 438 21 219 748 643 372 513 127 295 195 369 896 610 279 255 74 955 381 1068 640 50 -263 -2 -700 -19 -53 326 602 515 190 -131 -78 -1083 -1148 -1350 -1012 -1200 -599 -507 -277 -129 390 621 1091 1134 882 717 513 -298 -883 -548 -544 310 1343 -66 -1256 -870 -1151 2 414 -263 -761 -481 -69 41 1294 1604 1544 658 -611 -1341 -705 -184 -145 93 -205 460 2013 1242 -110 442 134 448 621 339 -609 -602 141 -891 -1158 -404 0 385 468 SS 20211125T131417.6Z 7999.551593 298 1 31.08 2 78.26 131.21 50.02 265.39 0.00 1 0.00 1 0 25 1.571e-01 6.914e-03 4.841e-02 1.509e-03 5.417689e-01 7.831857e-04 6.353297e-03 -6.000000e+00 9.128150e-02 223.12 -2.00 3.51 -2.00 319.93 0.00e+00 2.203894e-03 2.567752e-04 8.771709e-04 -6.000000e+00 4.064570e-03 279.45 -2.00 20.00 -2.00 319.33 0.00e+00 4.760 0.002 302.00 328.00 3 6.9819e-01 2.2645e-03 5.4911e-02 -6.0000e+00 2.2442e-01 5.9711e-02 2.7525e-03 2.8915e-02 -6.0000e+00 2.4436e-01 -2.9046e-02 2.4191e-03 1.4073e-02 -6.0000e+00 1.4592e-01 1.3038e-03 1.2473e-03 4.6736e-03 -6.0000e+00 6.1505e-02 1.3019e-03 -1.6932e-03 4.4835e-05 5.3284e-05 -6.0000e+00 4.6852e-03 5.1733e-04 -6.8724e-05 12 9 1 12 1 1 89.17 22.69 0.21 0.00052 -0.01221 110 33 1 5 0 278.380 25.58 19.99 22.69 12.83 29.9 979.90 -43404 -36811 99782 -77636 -24867 -41631 -41371 1745 -234 -38642 -53739 -31096 -44561 -32220 2763 -3959 -29747 4985 9742 9368 -715 -7078 612 -4574 -2419 -12530 9215 -10221 -5218 -17707 -1681 -2162 1633 -5616 -2634 7888 -2229 366 3517 912 -3086 -1240 -4305 -981 -1700 2563 -2703 1712 895 2724 1241 287 2284 2540 2846 565 1688 105 774 790 1194 2028 1380 888 -449 236 1612 671 1667 1019 -243 -295 22 -877 137 -374 1174 845 1627 87 -109 -746 -1408 -1524 -1673 -1116 -1126 -248 -704 -256 219 536 605 1471 1420 902 691 581 -310 -741 -375 -623 345 998 39 -1016 -615 -777 -132 150 -213 -369 -303 -8 -129 759 905 1154 411 -285 -821 -486 -138 -301 169 13 417 1389 881 -61 303 40 242 230 258 -344 -232 219 -368 -431 -186 -96 -23 182 -489 -456 364 -1524 -285 -541 -562 18 -3 -703 -1193 -612 -1174 -935 71 -127 -1363 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