File name: Pandora55s1_QueensNY_20230621_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114614.1Z 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_20230621_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: 20230621 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 20230621T120720.0Z 8572.505092 115 1 51.93 2 62.01 82.15 91.87 57.42 0.00 1 0.00 1 0 17 1.409e-01 4.085e-02 7.554e-03 2.069e-03 3.051361e-01 1.090476e-03 3.598052e-03 -6.000000e+00 8.510047e-02 232.91 -2.00 3.51 -2.00 317.38 0.00e+00 9.232907e-03 1.618843e-04 2.650964e-04 -6.000000e+00 3.768329e-03 287.29 -2.00 20.00 -2.00 316.58 0.00e+00 2.120 0.000 302.00 328.00 3 4.7618e+00 2.9043e-03 2.7174e-02 -6.0000e+00 2.1357e-01 1.1119e-01 3.2449e-03 1.9669e-02 -6.0000e+00 2.3037e-01 -1.1755e-01 1.9093e-03 8.5740e-03 -6.0000e+00 1.3716e-01 5.6009e-02 9.3153e-04 7.4557e-03 -6.0000e+00 5.7267e-02 3.4941e-04 -1.2677e-03 6.3387e-05 6.8088e-05 -6.0000e+00 4.2104e-03 7.8510e-03 0.0000e+00 12 9 8 11 8 0 73.31 22.66 0.28 0.00785 -0.00167 16 3 1 5 0 3244.620 26.00 20.02 22.66 24.10 34.8 1070.41 13336 24927 81683 18159 36016 40465 24576 46323 21706 8906 3048 2261 6052 11806 31427 16372 13531 -82527 32033 28048 27991 21288 18750 6074 4832 1328 12201 36 1213 3572 7223 12641 9970 5424 7600 15465 5405 3523 4900 2173 -1902 -519 -4041 -1421 271 5773 1190 6356 5111 6386 4766 2867 2313 5926 4366 1349 1924 -2196 -1206 -2024 185 1462 1414 165 1629 -828 2922 365 1365 1610 -1572 -615 -1041 -2954 -769 -2269 -1368 -381 -795 -1981 -1063 457 -1662 -1735 -2534 -2015 -2500 -1479 -1723 -974 -935 -895 -505 38 -593 145 -394 134 -79 231 583 285 261 1316 194 -834 -467 -971 -7 1087 509 -382 344 377 -314 199 751 1310 844 245 -477 520 1107 1165 583 226 265 1286 615 372 1077 779 1288 490 721 -229 333 -111 -752 -1177 -726 -943 -900 -922 1405 2673 5463 2131 3322 3296 2264 3619 2265 1072 386 295 842 1819 4762 3195 2921 -41159 6453 6050 6149 4955 4396 1585 1296 371 3112 10 324 931 1902 3452 3037 1793 2456 4519 1737 1248 1940 988 -973 -277 -2286 -808 154 3193 683 3500 2819 3488 2689 1715 1454 3773 2899 926 1330 -1560 -845 -1421 129 1050 1082 135 1362 -699 2307 281 1045 1301 -1393 -570 -985 -2812 -700 -1984 -1110 -291 -603 -1585 -921 423 -1656 -1805 -2744 -2264 -2940 -1784 -2119 -1187 -1114 -1020 -542 38 -604 154 -446 163 -103 308 771 363 318 1546 233 -1051 -609 -1307 -9 1545 756 -588 532 572 -462 279 1016 1762 1168 353 -715 785 1657 1716 841 317 362 1704 821 513 1548 1160 1955 758 1139 -375 560 -190 -1308 -2061 -1255 -1600 -1490 -1509 SS 20230621T121331.6Z 8572.509394 118 1 50.89 2 60.85 83.07 90.92 58.42 0.00 1 0.00 1 0 17 4.545e-02 9.621e-03 6.258e-03 1.886e-03 2.941359e-01 9.981289e-04 3.487371e-03 -6.000000e+00 2.747346e-02 232.91 -2.00 3.51 -2.00 317.25 0.00e+00 2.676788e-04 1.438988e-04 9.710240e-05 -6.000000e+00 1.215948e-03 287.29 -2.00 20.00 -2.00 316.44 0.00e+00 2.043 0.000 302.00 328.00 3 4.7187e+00 2.6565e-03 2.5746e-02 -6.0000e+00 6.8949e-02 1.6406e-02 2.9740e-03 1.5472e-02 -6.0000e+00 7.4358e-02 2.5406e-03 1.7660e-03 7.4681e-03 -6.0000e+00 4.4275e-02 -3.5771e-03 8.5213e-04 2.0465e-03 -6.0000e+00 1.8498e-02 4.1956e-04 -5.2441e-04 5.8288e-05 2.5464e-05 -6.0000e+00 1.3582e-03 3.7577e-03 0.0000e+00 12 9 8 11 32 0 70.84 22.66 0.50 0.00376 -0.00018 18 3 1 5 0 2826.780 26.00 20.02 22.66 24.20 34.9 1071.28 -14331 -9406 36140 -14625 5577 3439 1129 16293 4635 -2696 -5151 -2583 -7796 -1350 -2529 -709 -6429 -8766 8852 6306 6055 1107 3082 -4465 491 -481 9688 -1344 -986 -3484 440 2719 669 -4287 -1065 5168 -1859 -1389 1007 1387 -2632 798 -3750 -1241 -693 1619 -2359 973 -262 805 440 -304 84 2690 2051 558 2876 822 1914 -247 999 632 1398 -697 390 -1997 742 -344 664 922 -508 377 135 -1161 879 -1017 546 1417 769 -945 -176 426 -961 -1128 -2108 -425 -1424 -509 -984 -276 -142 49 532 836 783 1029 454 780 -240 -512 -152 -423 170 -37 492 -699 -419 -739 -87 1095 299 -822 107 62 -525 16 631 635 545 -42 -868 -139 420 363 120 -307 299 974 653 113 863 346 403 227 -255 -502 280 306 -200 -457 -419 -266 -84 -316 -1579 -1105 2928 -1845 547 324 111 1518 536 -355 -712 -356 -1219 -225 -483 -148 -1499 -2181 1964 1488 1466 283 782 -1253 139 -143 2683 -400 -280 -982 122 790 213 -1485 -360 1612 -628 -515 420 658 -1413 442 -2216 -733 -410 944 -1407 560 -150 459 257 -187 54 1776 1406 395 2049 598 1377 -178 720 471 1092 -582 334 -1719 600 -270 518 762 -456 354 129 -1120 812 -906 450 1099 590 -765 -153 398 -965 -1181 -2304 -478 -1681 -618 -1217 -338 -170 57 575 861 802 1094 514 942 -309 -682 -201 -539 206 -44 592 -880 -547 -994 -120 1548 442 -1257 165 93 -767 23 848 851 747 -60 -1288 -208 626 532 173 -431 406 1282 863 154 1231 511 607 346 -400 -814 464 518 -343 -790 -715 -447 -137 -512 SS 20230621T121931.5Z 8572.513559 121 1 49.08 2 59.72 83.98 89.98 59.37 0.00 1 0.00 1 0 17 3.854e-02 1.017e-02 5.914e-03 1.937e-03 2.824828e-01 1.025353e-03 3.348273e-03 -6.000000e+00 2.329592e-02 232.91 -2.00 3.51 -2.00 317.13 0.00e+00 1.331492e-04 1.429091e-04 6.099983e-05 -6.000000e+00 1.031038e-03 287.29 -2.00 20.00 -2.00 316.32 0.00e+00 1.975 0.000 302.00 328.00 3 4.8174e+00 2.7239e-03 2.4814e-02 -6.0000e+00 5.8465e-02 9.8232e-03 3.0473e-03 1.4830e-02 -6.0000e+00 6.3051e-02 9.1593e-03 1.7992e-03 7.1562e-03 -6.0000e+00 3.7542e-02 -6.5650e-03 8.6044e-04 1.9414e-03 -6.0000e+00 1.5686e-02 4.1492e-04 -3.7604e-04 5.9713e-05 2.4401e-05 -6.0000e+00 1.1516e-03 3.6280e-03 0.0000e+00 12 9 8 11 32 0 83.84 22.66 0.87 0.00363 0.00080 17 3 1 5 0 2886.230 26.00 20.01 22.66 24.46 34.9 1073.07 -13147 -11674 -5627 -15968 4325 6730 -3157 17628 -409 -4827 -7148 -1922 3284 939 7736 -1802 -7477 20980 7464 4128 4747 -115 2359 -6310 -766 -3085 8654 -1396 -2073 -1664 925 2181 315 -3917 -1843 6063 -2655 -1355 417 679 -2329 351 -3143 -1835 -1072 -853 -2290 814 554 607 125 -843 -787 2005 1626 725 2673 739 1798 1307 1217 2779 1159 -586 439 -1692 1243 -916 673 1024 937 325 76 -299 693 -953 333 1825 135 -792 -865 173 -1572 -780 -2167 -709 -1459 -589 -828 -259 -445 -48 601 828 915 815 227 378 197 -596 -383 -806 -46 1162 -562 -573 -152 -562 99 807 213 -470 -26 -296 -465 134 624 1207 531 -140 -1004 -43 482 441 306 98 -112 980 465 194 665 354 357 293 425 -460 127 126 -299 -658 -313 -307 -177 -240 -1549 -1509 -719 -2189 460 659 -345 1748 -53 -695 -1074 -282 496 163 1434 -400 -1853 4242 1760 1039 1220 -31 632 -1882 -230 -982 2531 -434 -621 -481 266 660 104 -1399 -646 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