File name: Pandora55s1_QueensNY_20230807_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T120616.8Z 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_20230807_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: 20230807 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 20230807T153816.9Z 8619.651585 378 1 0.63 2 30.24 137.65 77.42 276.78 0.00 1 0.00 1 0 25 9.882e-03 7.762e-03 4.650e-03 3.527e-03 1.547163e-01 1.908172e-03 1.897960e-03 -6.000000e+00 5.961675e-03 232.08 -2.00 3.51 -2.00 314.37 0.00e+00 1.838398e-04 1.486100e-04 4.823745e-05 -6.000000e+00 2.676167e-04 290.11 -2.00 20.00 -2.00 313.74 0.00e+00 1.157 0.000 302.00 328.00 3 1.4799e+00 4.9024e-03 1.4172e-02 -6.0000e+00 1.4916e-02 1.4952e-03 5.4005e-03 8.1110e-03 -6.0000e+00 1.6082e-02 2.0850e-03 3.0953e-03 3.9431e-03 -6.0000e+00 9.6001e-03 -2.5843e-03 1.3235e-03 1.1082e-03 -6.0000e+00 4.0351e-03 3.3258e-02 -3.0089e-04 1.0787e-04 1.6870e-05 -6.0000e+00 2.9520e-04 -3.7168e-03 0.0000e+00 12 9 1 12 1 1 999.00 22.66 0.34 -0.00372 -0.00598 2 63 2 5 0 150.890 26.00 19.99 22.66 30.81 36.1 1089.26 332 -1815 -3226 -3405 -1683 -248 -263 2510 1244 -873 -1102 1183 1614 1773 581 -496 -382 189 715 664 111 870 1469 613 354 19 -872 -1081 546 2416 1441 1689 1125 -713 -10 515 1153 619 1584 -902 -1468 -881 -903 -1557 -1230 -1412 -1173 -1402 -792 1050 1176 802 735 984 383 372 173 784 157 142 1122 1080 877 632 -738 -775 -241 58 1455 866 218 -576 -515 -519 -240 -369 197 485 1739 158 422 -589 -1720 -1663 -764 -1471 -758 -192 -469 -476 15 167 384 1237 1909 1672 762 591 -825 -695 296 -529 -260 584 508 -1282 -328 -532 -217 -98 104 -202 -335 -220 32 562 1119 541 1038 -83 -473 -375 -173 149 39 20 178 1512 614 366 558 -148 267 325 259 11 -358 -80 -758 -780 -37 -333 20 185 132 -754 -1393 -1413 -663 -95 -99 937 521 -372 -473 522 695 836 290 -272 -207 104 400 381 66 510 855 367 211 12 -549 -656 321 1383 817 938 663 -443 -6 296 666 380 1075 -669 -1174 -748 -762 -1341 -1057 -1208 -985 -1190 -643 848 950 649 627 840 340 337 159 723 144 129 1019 980 851 628 -738 -778 -230 53 1280 819 213 -588 -544 -547 -243 -361 187 434 1525 140 393 -589 -1818 -1796 -831 -1663 -910 -234 -571 -577 18 192 427 1293 1982 1736 835 686 -987 -869 362 -636 -300 670 582 -1547 -402 -663 -280 -127 142 -277 -461 -300 42 687 1318 654 1254 -104 -620 -494 -235 197 52 25 218 1798 727 451 701 -189 345 427 340 14 -507 -113 -1106 -1150 -54 -471 29 254 SS 20230807T154742.7Z 8619.658133 384 1 50.43 2 29.09 141.58 79.12 278.25 0.00 1 0.00 1 0 17 9.358e-03 6.758e-03 1.973e-03 1.262e-03 1.548713e-01 6.733999e-04 1.876896e-03 -6.000000e+00 5.645144e-03 232.08 -2.00 3.51 -2.00 315.23 0.00e+00 1.656886e-05 6.170193e-05 2.028161e-05 -6.000000e+00 2.534235e-04 290.11 -2.00 20.00 -2.00 314.50 0.00e+00 1.144 0.000 302.00 328.00 3 4.8634e+00 1.7449e-03 1.4065e-02 -6.0000e+00 1.4124e-02 1.7415e-02 1.9316e-03 8.1023e-03 -6.0000e+00 1.5229e-02 9.4349e-03 1.1017e-03 3.9302e-03 -6.0000e+00 9.0907e-03 -5.7003e-03 4.8194e-04 1.0761e-03 -6.0000e+00 3.8204e-03 1.1332e-03 -1.9500e-04 3.8792e-05 1.5573e-05 -6.0000e+00 2.7956e-04 -2.7300e-03 0.0000e+00 11 8 0 10 0 0 100.00 22.66 0.15 -0.00273 -0.00420 150 28 1 5 0 336.110 26.00 19.99 22.66 31.63 36.3 1094.35 -1442 -1526 136 -3849 -1103 282 833 3639 1108 -315 -1344 750 398 -1623 1546 -636 -1627 17 1424 1221 -27 953 1035 397 393 -103 1015 -695 -19 654 1048 1864 1542 -1809 -663 1245 100 247 749 -291 -1383 -1018 -1601 -1235 -827 -684 -1657 -481 -690 350 582 232 196 1135 829 711 1231 670 1165 722 1424 1614 1174 359 -366 -966 180 176 960 1024 82 -225 -163 -487 -374 -339 183 920 1247 119 -307 -357 -1341 -1089 -1318 -975 -856 -347 -593 -568 -130 144 179 1100 1177 1221 648 745 -164 -227 -481 -633 -4 668 4 -754 -402 -936 -140 342 58 -336 -157 -204 -336 359 468 810 667 82 -557 -340 99 216 250 400 400 1386 665 103 607 244 211 308 349 -241 -160 147 -316 -614 -221 -359 -449 10 -425 -485 44 -1233 -319 75 221 1009 344 -104 -450 246 136 -608 616 -276 -739 8 654 573 -13 459 499 196 201 -55 536 -362 -9 303 478 871 757 -936 -335 597 49 132 453 -200 -1039 -804 -1297 -1011 -675 -557 -1339 -376 -525 260 432 178 156 930 699 609 1067 584 1009 624 1232 1431 1094 351 -367 -953 166 153 819 919 79 -231 -171 -511 -383 -331 165 773 1009 100 -277 -345 -1385 -1168 -1466 -1131 -1040 -435 -757 -725 -162 170 197 1136 1186 1260 710 869 -204 -290 -612 -775 -5 757 5 -925 -513 -1231 -188 472 82 -490 -229 -289 -456 458 572 982 828 106 -760 -475 138 297 335 518 500 1668 801 128 776 321 281 415 480 -343 -235 221 -481 -945 -337 -538 -660 14 SS 20230807T155148.7Z 8619.660980 387 1 8.55 2 28.61 143.37 79.85 278.88 0.00 1 0.00 1 0 17 1.042e-02 7.485e-03 4.773e-03 3.431e-03 1.552004e-01 1.845177e-03 1.887238e-03 -6.000000e+00 6.287545e-03 232.08 -2.00 3.51 -2.00 314.65 0.00e+00 -8.350661e-05 1.516443e-04 2.962673e-05 -6.000000e+00 2.822802e-04 290.11 -2.00 20.00 -2.00 313.98 0.00e+00 1.139 0.000 302.00 328.00 3 5.0877e+00 4.7535e-03 1.4031e-02 -6.0000e+00 1.5732e-02 2.8993e-02 5.2473e-03 8.1089e-03 -6.0000e+00 1.6963e-02 4.3310e-03 2.9989e-03 3.9379e-03 -6.0000e+00 1.0126e-02 -3.8137e-03 1.2908e-03 1.0788e-03 -6.0000e+00 4.2545e-03 9.0825e-04 -2.4193e-04 1.0459e-04 1.6284e-05 -6.0000e+00 3.1142e-04 -1.6939e-03 0.0000e+00 12 9 1 12 1 1 99.99 22.66 0.31 -0.00169 -0.00351 4 6 1 5 0 1674.300 26.00 20.01 22.66 31.95 36.2 1095.95 -904 -2759 1731 -4013 -821 2030 -1790 3991 1458 -400 272 756 1349 -2016 2628 -978 -1751 -786 1860 1104 1090 1272 790 -432 333 -296 1492 -1327 -551 -475 911 1335 896 -977 -692 444 -630 -305 953 -957 -783 -645 -1554 -1306 -733 -613 -1705 -404 -773 974 662 84 -227 1942 374 45 1548 1151 1082 396 1337 1326 893 -189 185 190 -123 -328 1146 1184 240 443 -210 -680 -446 -1072 -45 678 1558 -638 -189 -309 -1491 -1424 -1550 -701 -343 -339 -533 -330 210 148 289 747 514 998 178 612 -420 -738 -543 -446 604 1231 88 -423 -34 -768 119 453 229 -295 -32 -387 -310 634 381 619 169 -592 -893 -266 -95 480 -494 224 245 1517 728 -483 729 720 714 -281 372 314 160 330 -89 -751 -621 -66 -397 -383 -324 -1068 658 -1548 -288 653 -593 1347 543 -158 108 296 543 -891 1212 -491 -911 -412 972 592 593 694 433 -243 192 -176 880 -777 -306 -253 475 713 498 -562 -393 243 -351 -182 631 -709 -624 -535 -1322 -1121 -627 -523 -1446 -333 -623 765 522 68 -191 1658 329 40 1390 1039 974 355 1199 1217 857 -190 188 189 -117 -296 1015 1096 237 457 -222 -721 -462 -1070 -42 592 1318 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