File name: Pandora55s1_QueensNY_20231215_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T125601.0Z 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_20231215_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: 20231215 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 20231215T131802.9Z 8749.554200 72 1 10.18 2 80.77 131.93 107.90 109.56 0.00 1 0.00 1 0 25 5.607e-01 2.412e-02 2.672e-01 9.312e-03 7.076844e-01 5.221547e-03 8.221694e-03 -6.000000e+00 3.375856e-01 222.82 -2.00 3.51 -2.00 321.09 0.00e+00 8.586699e-03 2.394029e-03 2.127313e-03 -6.000000e+00 1.658838e-02 277.25 -2.00 20.00 -2.00 320.60 0.00e+00 5.924 0.004 302.00 328.00 3 1.7122e+00 1.6867e-02 6.9395e-02 -6.0000e+00 8.3522e-01 3.1395e-01 2.2511e-02 3.7604e-02 -6.0000e+00 9.1658e-01 -3.7786e-01 2.2359e-02 2.3193e-02 -6.0000e+00 5.4077e-01 1.5724e-01 1.0766e-02 1.1559e-02 -6.0000e+00 2.2369e-01 1.2370e-04 -1.5204e-03 2.7581e-04 1.5728e-04 -6.0000e+00 1.7222e-02 3.3156e-03 0.0000e+00 12 9 9 12 1 1 48.96 22.76 0.31 0.00332 -0.00811 7 8 1 5 0 1270.100 26.11 20.00 22.76 9.20 34.7 965.69 -223664 -228082 900000 -213195 -124205 900000 -102463 900000 -28358 -114 -222075 900000 -101111 -71496 900000 -17768 -26318 900000 900000 900000 900000 60087 900000 -99239 117119 -21791 900000 82650 72 -29879 -24829 303861 988 31291 16266 900000 -12865 -15086 27767 77015 5442 38887 6081 45 21153 45757 10031 45161 29786 38732 9973 5672 -14292 58773 27312 26310 16687 17991 3594 8564 10200 24814 7096 -7278 12881 -6251 13687 -1279 9165 4476 3616 3153 7198 -814 6769 -2747 1321 6644 -54 97 -7427 8336 -431 144 -4717 -2731 -5907 -148 -2789 -2544 -220 -3950 207 -2005 717 -2771 -1659 -1005 863 -135 -1199 -1191 -558 3335 -695 -988 -730 -2549 -1187 1530 454 -1947 -597 -107 -834 -250 1215 1871 797 457 -135 -292 1978 3254 60 861 -750 2222 303 544 345 731 599 421 1121 -542 -206 -620 -481 -827 -586 -663 830 -588 -5914 -7581 900000 -6863 -1630 900000 -1026 900000 -257 -1 -8770 900000 -1723 -1196 900000 -284 -530 900000 900000 900000 900000 708 900000 -5399 1061 -630 900000 902 2 -998 -904 2754 40 1063 653 900000 -675 -897 1304 2694 421 2416 545 4 1768 3128 980 3298 2632 3344 1216 795 -2659 6040 4022 4081 2912 3124 704 1570 1849 4143 1541 -2033 3301 -1986 3624 -388 2665 1500 1359 1279 2892 -343 2515 -1025 436 2012 -18 37 -3496 3921 -245 88 -3169 -1900 -4434 -110 -2168 -1962 -161 -2841 137 -1331 485 -2135 -1440 -979 920 -155 -1393 -1318 -568 3094 -665 -988 -765 -2844 -1389 1892 620 -2918 -928 -167 -1288 -373 1749 2692 1191 711 -217 -466 3026 4800 89 1230 -1058 3012 431 836 582 1324 1142 835 2309 -1178 -462 -1424 -1110 -1915 -1326 -1446 1712 -1198 SS 20231215T132958.3Z 8749.562480 78 1 50.52 2 79.12 134.14 105.86 111.19 0.00 1 0.00 1 0 25 2.812e-01 7.326e-03 6.469e-02 1.243e-03 6.322540e-01 6.536496e-04 7.227772e-03 -6.000000e+00 1.637224e-01 222.82 -2.00 3.51 -2.00 320.48 0.00e+00 3.868734e-03 2.559218e-04 1.003864e-03 -6.000000e+00 7.217908e-03 277.25 -2.00 20.00 -2.00 319.95 0.00e+00 5.105 0.002 302.00 328.00 3 4.7383e-01 1.9752e-03 6.0532e-02 -6.0000e+00 4.0259e-01 9.5601e-02 2.5150e-03 3.4441e-02 -6.0000e+00 4.3815e-01 -6.3796e-02 2.4676e-03 1.7181e-02 -6.0000e+00 2.6139e-01 1.4535e-02 1.2402e-03 7.2772e-03 -6.0000e+00 1.1037e-01 1.0446e-03 -8.4440e-04 3.5988e-05 7.2619e-05 -6.0000e+00 8.3799e-03 4.3466e-03 0.0000e+00 11 8 0 10 0 0 38.39 22.76 0.24 0.00435 -0.00200 259 49 1 5 0 195.020 26.11 20.00 22.76 10.27 35.1 971.90 -145420 -119307 56021 -111057 -60787 -77286 -89652 16549 -75741 -70316 -85974 -55161 -62963 -59762 28009 -22809 -29856 -76361 17126 3526 -3111 -6251 -8189 -20978 -7941 -14970 23214 -12592 -9483 -20305 -8567 3651 -5395 -7116 -1784 9784 -5044 -4190 2776 2282 -2720 -361 -3807 -2802 -952 2446 -1150 2814 3667 3849 1216 1929 704 5196 3049 1578 1953 581 1213 533 1305 3281 2212 749 1488 57 2287 849 1707 1499 51 563 -35 -571 -133 -555 623 1301 791 -201 -309 311 -1399 -1573 -1590 -1439 -1315 -693 -589 -344 313 560 693 1130 937 787 451 634 -458 -403 -319 -391 117 922 -6 -1120 -668 -977 -159 223 -125 -516 -214 -223 -129 460 908 1063 571 -233 -618 -365 20 -41 55 -64 257 1457 673 42 392 -13 294 199 248 -349 -192 146 -321 -557 -134 -51 41 129 -1859 -1433 130 -1395 -442 -639 -870 62 -810 -783 -1203 -632 -951 -1126 281 -468 -767 -3217 340 86 -85 -179 -246 -697 -275 -546 652 -464 -338 -841 -357 161 -308 -461 -113 544 -338 -317 237 236 -317 -46 -533 -406 -139 354 -177 430 579 642 226 397 163 1261 813 418 535 164 337 146 357 931 706 274 594 24 926 348 729 669 26 310 -20 -321 -70 -268 290 573 363 -98 -177 206 -997 -1224 -1320 -1195 -1158 -636 -551 -318 276 492 571 902 781 690 458 698 -544 -513 -407 -467 133 970 -6 -1280 -806 -1185 -204 313 -186 -806 -351 -368 -205 724 1370 1605 902 -372 -1026 -602 31 -66 85 -97 370 2130 975 67 675 -23 566 386 508 -733 -424 318 -711 -1234 -298 -108 86 260 SS 20231215T133559.9Z 8749.566665 81 1 50.54 2 78.31 135.29 104.84 112.02 0.00 1 0.00 1 0 25 1.945e-01 6.248e-03 3.811e-02 1.010e-03 5.974685e-01 5.276196e-04 6.907029e-03 -6.000000e+00 1.132443e-01 222.82 -2.00 3.51 -2.00 320.16 0.00e+00 2.271825e-03 1.863453e-04 9.232388e-04 -6.000000e+00 4.992748e-03 277.25 -2.00 20.00 -2.00 319.61 0.00e+00 4.778 0.002 302.00 328.00 3 4.4676e-01 1.5468e-03 5.6612e-02 -6.0000e+00 2.7847e-01 7.6218e-02 1.9247e-03 3.1876e-02 -6.0000e+00 3.0306e-01 -4.0331e-02 1.8095e-03 1.5849e-02 -6.0000e+00 1.8080e-01 4.4239e-03 9.2433e-04 5.5867e-03 -6.0000e+00 7.6335e-02 1.5226e-03 -8.6463e-04 2.9444e-05 6.0833e-05 -6.0000e+00 5.7966e-03 4.7227e-03 0.0000e+00 11 1 0 11 8 0 50.83 22.76 0.21 0.00472 -0.00177 318 60 1 5 0 158.870 26.11 20.00 22.76 10.71 34.9 973.67 -97223 -84234 53544 -89653 -42573 -26160 -74674 -1315 -56106 -39186 -71107 -35095 -49080 -33906 -4029 -11688 -16498 13076 6314 2824 4888 -7369 -172 -14289 -6074 -11244 9332 -12246 -8468 -12906 -6464 941 -3367 -3074 -2957 4583 -4657 -2607 -185 587 -2875 -1230 -3423 -2346 -461 1218 -1503 794 1223 1601 1074 572 1119 3052 2420 1675 1092 757 547 657 1342 2490 1950 804 700 401 1555 510 1198 1169 443 13 -18 -765 -331 -53 548 988 1020 156 -359 -419 -1711 -1344 -1550 -947 -1332 -552 -647 -417 44 422 889 1151 1370 1021 668 611 -150 -394 -304 -488 294 978 -76 -905 -476 -728 -113 83 -107 -402 -353 -111 -106 594 871 921 492 -233 -658 -441 -29 -309 -24 -82 288 1388 788 137 206 -109 307 138 183 -329 -156 200 -359 -434 -114 -101 32 225 -1149 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