File name: Pandora55s1_QueensNY_20250529_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250530T050427.5Z 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 v1.8.75 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250529_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: 20250529 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 20250529T134611.7Z 9280.573746 192 1 3.12 2 43.56 101.37 68.78 71.88 0.00 1 0.00 1 0 25 8.461e-03 6.558e-03 1.662e-03 1.092e-03 2.038092e-01 5.839555e-04 2.468925e-03 -6.000000e+00 5.092624e-03 231.93 -2.00 3.51 -2.00 315.15 0.00e+00 9.221308e-05 5.159404e-05 4.387769e-05 -6.000000e+00 2.242404e-04 285.04 -2.00 20.00 -2.00 314.49 0.00e+00 1.378 0.000 302.00 328.00 3 1.7812e+00 1.5103e-03 1.7497e-02 -6.0000e+00 1.2759e-02 1.8231e-02 1.6724e-03 1.0613e-02 -6.0000e+00 1.3780e-02 -2.7586e-03 9.5343e-04 5.1629e-03 -6.0000e+00 8.1999e-03 -9.7297e-04 4.1359e-04 1.4227e-03 -6.0000e+00 3.4215e-03 1.7799e-02 -5.0372e-05 3.3392e-05 2.0663e-05 -6.0000e+00 2.5285e-04 9.3375e-03 0.0000e+00 12 9 1 12 1 1 99.83 15.85 0.20 0.00934 0.00896 28 89 1 5 0 107.220 26.11 20.00 15.85 21.41 38.2 1076.57 -993 -1916 -2843 -3138 -1280 105 993 1016 1018 -735 -73 659 1235 935 504 -183 38 274 20 683 153 1138 1382 817 110 -215 -844 -853 411 1380 1196 1989 1229 -1299 -661 -72 304 565 913 -674 -1090 -1044 -1147 -947 -797 -680 -1046 -669 -658 512 759 931 696 696 548 577 604 238 637 847 1267 1079 1110 176 -1050 -369 -138 561 1276 727 32 -343 -711 -375 -671 -279 237 709 1328 401 -51 -843 -1584 -1063 -1042 -871 -612 -466 -473 -568 -204 259 473 1106 1496 1192 967 618 -462 -554 -523 -286 150 783 -100 -790 -338 -797 -7 100 -100 -251 -319 -179 13 627 956 958 477 66 -597 -417 -326 -325 225 304 639 1209 1029 346 604 -36 179 -45 160 -332 -192 97 -465 -408 -191 -195 -183 -22 -290 -619 -951 -1009 -368 30 281 314 326 -254 -25 227 449 356 204 -81 18 131 10 326 75 555 675 413 59 -114 -451 -463 206 653 566 984 654 -696 -364 -38 163 322 582 -464 -805 -823 -897 -750 -631 -535 -814 -526 -502 378 567 730 556 583 457 492 524 208 551 723 1086 966 1023 168 -1044 -352 -126 493 1109 661 31 -348 -746 -389 -693 -276 219 619 1114 357 -48 -832 -1651 -1130 -1168 -1005 -728 -564 -586 -698 -247 300 513 1178 1552 1256 1077 735 -584 -708 -657 -347 174 907 -117 -964 -421 -1044 -9 134 -141 -358 -454 -251 17 794 1175 1170 610 88 -821 -572 -445 -445 303 389 799 1485 1262 433 776 -48 239 -61 225 -481 -283 144 -703 -621 -287 -292 -263 -32 SS 20250529T163700.1Z 9280.692363 303 1 51.67 2 19.30 168.84 37.99 97.20 0.00 1 0.00 1 0 9 2.236e-02 1.178e-02 4.381e-03 2.612e-03 1.753696e-01 1.387749e-03 2.069742e-03 -6.000000e+00 1.345882e-02 231.94 -2.00 3.51 -2.00 315.52 0.00e+00 8.979440e-04 1.327219e-04 3.605646e-05 -6.000000e+00 5.926159e-04 285.06 -2.00 20.00 -2.00 314.84 0.00e+00 1.059 0.000 302.00 328.00 3 6.3535e+00 3.6064e-03 1.4058e-02 -6.0000e+00 3.3720e-02 2.9911e-02 4.0024e-03 9.0905e-03 -6.0000e+00 3.6417e-02 1.8720e-03 2.2798e-03 4.3804e-03 -6.0000e+00 2.1671e-02 1.1579e-03 1.0009e-03 1.3457e-03 -6.0000e+00 9.0429e-03 2.6219e-04 -7.8560e-05 8.0413e-05 1.6775e-05 -6.0000e+00 6.6817e-04 9.0105e-03 0.0000e+00 12 9 8 11 32 0 99.98 15.55 1.06 0.00901 0.00842 20 4 1 5 0 2582.890 26.11 19.97 15.55 23.92 38.4 1089.31 -1928 -4708 -3226 -7969 583 4752 -221 10417 1680 -639 -3093 -3306 -3111 566 6612 404 -3687 -4415 7480 4869 -3066 1096 1398 -3479 25 -1536 7355 -993 -1158 -1617 87 3646 1427 -975 -1603 4867 -2446 -1878 475 1370 -2053 683 -2057 -1523 -601 1854 -2668 2077 321 2119 6 -511 -822 2317 2610 851 2925 485 1435 -587 -554 2446 1328 -984 943 -1415 354 -1130 428 365 -1243 838 891 -912 1587 -797 -454 895 -1149 -2864 -2267 664 -2032 -810 -1489 -115 -1418 -144 -327 776 260 -259 -413 -455 -701 -100 -1042 202 193 237 255 -986 -238 698 398 -682 -353 -259 107 1380 1247 -337 953 38 -616 -662 -407 277 24 -347 -617 923 1217 1381 387 177 -427 169 -317 -552 483 553 845 61 966 -160 471 495 -178 -658 -506 -530 -597 -872 -511 -1378 -954 -2360 148 1084 -53 2442 465 -189 -934 -1001 -988 191 2327 161 -1583 -1942 3049 2082 -1418 494 627 -1657 12 -766 3419 -480 -531 -714 38 1594 669 -478 -778 2167 -1175 -986 278 898 -1501 514 -1615 -1206 -473 1432 -2101 1546 236 1510 4 -388 -650 1855 2136 716 2460 416 1218 -502 -477 2128 1222 -960 925 -1379 321 -983 365 329 -1218 852 925 -953 1582 -769 -406 741 -941 -2458 -2083 641 -2118 -872 -1670 -133 -1739 -182 -419 983 321 -305 -454 -473 -717 -106 -1172 240 243 306 326 -1218 -279 797 468 -845 -454 -342 145 1906 1781 -497 1393 54 -843 -858 -506 342 31 -461 -854 1295 1700 1894 521 231 -540 207 -387 -695 626 735 1139 83 1342 -231 700 750 -274 -1026 -779 -804 -886 -1284 SS 20250529T200044.7Z 9280.833851 427 1 50.40 2 43.79 258.94 14.74 202.21 0.00 1 0.00 1 0 25 9.698e-03 6.462e-03 1.758e-03 1.000e-03 2.068299e-01 5.319281e-04 2.489145e-03 -6.000000e+00 5.837998e-03 231.95 -2.00 3.51 -2.00 315.68 0.00e+00 2.843244e-05 5.250276e-05 3.965818e-05 -6.000000e+00 2.570502e-04 285.07 -2.00 20.00 -2.00 314.98 0.00e+00 1.383 0.000 302.00 328.00 3 4.2677e+00 1.3841e-03 1.7638e-02 -6.0000e+00 1.4627e-02 2.8096e-02 1.5366e-03 1.0768e-02 -6.0000e+00 1.5796e-02 3.6240e-03 8.7733e-04 5.2313e-03 -6.0000e+00 9.4000e-03 -3.8087e-03 3.8885e-04 1.4335e-03 -6.0000e+00 3.9228e-03 1.4546e-03 4.6459e-05 3.0746e-05 2.0002e-05 -6.0000e+00 2.8980e-04 8.4984e-03 0.0000e+00 11 9 0 11 8 0 99.96 15.55 0.13 0.00850 0.00885 82 16 1 5 0 614.500 26.11 20.01 15.55 28.57 38.5 1100.00 -1786 -2821 -161 -4569 -1225 897 541 3921 1240 -319 -997 -165 55 657 1662 -645 -1166 259 1837 985 -889 729 1182 20 571 -236 654 -592 -178 630 1023 2014 946 -1534 -809 1610 -236 206 591 -549 -1583 -857 -1449 -1175 -889 -275 -1661 -571 -641 593 515 616 388 1126 1040 533 1137 325 948 705 1097 1486 1261 55 -605 -473 41 278 1203 627 59 -48 -269 -705 -151 -309 344 1056 1126 -15 -236 -499 -1684 -1168 -932 -835 -1021 -482 -502 -436 -24 47 323 1000 1291 1258 791 460 -357 -343 -432 -620 -61 951 12 -500 -226 -808 -47 159 -10 -379 -71 -167 -153 352 693 929 502 -22 -671 -489 -46 -41 206 367 340 1192 676 244 552 5 286 99 338 -327 53 104 -341 -529 -116 -413 -175 -64 -424 -728 -42 -1190 -287 195 119 909 321 -88 -278 -46 16 210 578 -245 -464 104 748 414 -385 314 510 9 264 -113 312 -277 -79 269 436 888 443 -750 -389 739 -112 106 343 -358 -1124 -634 -1098 -899 -679 -209 -1260 -423 -465 423 371 459 301 898 853 446 961 277 801 593 926 1285 1142 53 -589 -451 37 240 1031 567 57 -49 -278 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