File name: Pandora55s1_QueensNY_20241001_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241002T045136.7Z 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 v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241001_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: 20241001 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 20241001T143128.9Z 9040.605195 185 1 50.35 2 53.72 137.14 43.80 146.81 0.00 1 0.00 1 0 17 8.544e-03 6.491e-03 9.227e-04 5.169e-04 2.217528e-01 2.704858e-04 2.725454e-03 -6.000000e+00 5.064461e-03 227.39 -2.00 3.51 -2.00 315.74 0.00e+00 3.809313e-05 2.749441e-05 4.490560e-05 -6.000000e+00 2.272997e-04 285.91 -2.00 20.00 -2.00 315.04 0.00e+00 1.686 0.000 302.00 328.00 3 2.7632e+00 6.9661e-04 2.0331e-02 -6.0000e+00 1.2546e-02 1.0538e-02 7.7615e-04 1.1426e-02 -6.0000e+00 1.3586e-02 2.1567e-03 4.4513e-04 5.6240e-03 -6.0000e+00 8.1201e-03 -3.0564e-03 2.0057e-04 1.5762e-03 -6.0000e+00 3.4288e-03 4.8277e-03 -4.8919e-04 1.5828e-05 2.2019e-05 -6.0000e+00 2.5490e-04 -7.5516e-04 0.0000e+00 11 8 0 10 0 0 94.63 22.48 0.19 -0.00076 -0.00443 188 36 1 5 0 267.770 26.21 20.00 22.48 25.40 38.0 1045.68 -1079 -2311 -1696 -3732 -1776 -214 464 1571 587 -734 -882 791 670 854 774 -231 -594 91 652 743 -509 672 1413 548 638 -46 -135 -779 78 1202 1360 1714 1572 -948 -655 428 76 435 563 -375 -1294 -940 -1287 -1128 -861 -609 -992 -686 -677 425 629 592 736 724 724 656 855 360 739 787 1300 1389 1200 391 -594 -411 -103 340 1347 858 124 -231 -616 -607 -654 -221 221 506 1169 338 5 -541 -1451 -1333 -1008 -1054 -831 -598 -556 -604 -245 197 363 1308 1401 1229 851 765 -287 -545 -470 -435 -4 831 99 -711 -332 -702 -55 12 -67 -425 -265 -144 -17 514 796 866 722 -47 -597 -499 -228 -206 172 224 490 1379 1106 439 581 21 257 124 259 -325 -185 114 -495 -493 -246 -324 -217 35 -244 -584 -442 -959 -410 -45 97 356 150 -203 -248 220 186 264 271 -85 -232 36 269 315 -212 278 583 235 288 -22 -65 -364 34 522 589 738 727 -470 -320 198 36 217 315 -237 -886 -689 -941 -839 -640 -450 -727 -512 -491 300 449 445 561 581 579 538 714 305 619 650 1074 1193 1063 359 -572 -386 -93 297 1154 763 119 -231 -637 -625 -646 -210 196 426 981 288 5 -530 -1507 -1419 -1129 -1216 -987 -723 -690 -746 -300 231 401 1366 1424 1310 960 920 -356 -712 -607 -545 -5 951 117 -880 -420 -934 -74 16 -96 -621 -389 -205 -23 682 1024 1101 924 -62 -823 -709 -323 -284 233 300 642 1710 1366 572 778 29 360 178 372 -480 -279 177 -766 -769 -389 -497 -330 53 SS 20241001T143643.3Z 9040.608834 188 1 24.37 2 53.06 138.55 43.30 148.54 0.00 1 0.00 1 0 17 9.001e-03 6.510e-03 1.720e-03 1.002e-03 2.187523e-01 5.258035e-04 2.689193e-03 -6.000000e+00 5.335966e-03 227.39 -2.00 3.51 -2.00 315.60 0.00e+00 1.197403e-04 5.208426e-05 4.407031e-05 -6.000000e+00 2.394706e-04 285.91 -2.00 20.00 -2.00 314.91 0.00e+00 1.660 0.000 302.00 328.00 3 3.3754e+00 1.3528e-03 2.0028e-02 -6.0000e+00 1.3219e-02 1.7371e-02 1.5059e-03 1.1267e-02 -6.0000e+00 1.4314e-02 2.2229e-03 8.6272e-04 5.5424e-03 -6.0000e+00 8.5551e-03 -2.8578e-03 3.8662e-04 1.5573e-03 -6.0000e+00 3.6131e-03 2.6892e-03 -4.4093e-04 3.0679e-05 2.2180e-05 -6.0000e+00 2.6853e-04 -1.7726e-03 0.0000e+00 12 9 1 12 1 1 98.16 22.48 0.21 -0.00177 -0.00509 36 15 1 5 0 658.310 26.21 19.97 22.48 25.77 37.9 1046.87 -1788 -2575 -1194 -3961 -2127 381 -125 2314 849 -640 -1209 255 414 78 1607 -249 -896 234 1494 677 -464 966 1251 488 664 70 404 -882 -28 1571 1237 1700 1136 -1049 -763 375 -247 -62 803 -301 -1481 -1015 -1352 -1015 -719 -436 -1127 -538 -786 406 838 749 305 841 784 606 952 494 639 808 1156 1364 1264 429 -451 -461 2 67 1401 860 86 -145 -576 -520 -539 -394 17 500 1117 113 -18 -739 -1489 -1288 -1125 -1020 -800 -607 -473 -546 -262 156 275 1209 1461 1269 691 734 -223 -352 -354 -392 -135 773 133 -814 -237 -807 -94 130 -67 -467 -124 -103 -64 367 819 862 579 123 -727 -369 -232 -86 200 292 406 1405 1055 382 599 17 180 31 234 -275 -155 118 -429 -464 -274 -295 -336 74 -433 -681 -321 -1063 -527 87 -29 560 227 -182 -350 73 125 25 570 -96 -363 96 623 290 -204 424 550 220 310 34 196 -423 -13 688 542 771 545 -525 -379 180 -121 -32 467 -195 -1042 -744 -1017 -770 -546 -331 -851 -399 -573 292 607 558 237 671 643 505 804 419 540 679 973 1172 1132 402 -434 -439 2 59 1206 777 82 -146 -593 -535 -541 -380 15 429 937 98 -17 -727 -1549 -1386 -1246 -1171 -953 -742 -587 -677 -318 182 303 1268 1510 1348 773 869 -279 -452 -453 -485 -160 895 157 -1001 -301 -1053 -125 177 -94 -674 -180 -147 -87 481 1037 1086 744 164 -1008 -520 -325 -119 271 386 522 1753 1314 489 794 24 249 43 334 -403 -233 181 -666 -725 -425 -450 -504 110 SS 20241001T144053.2Z 9040.611727 191 1 15.87 2 52.54 139.68 42.92 149.93 0.00 1 0.00 1 0 17 8.309e-03 6.378e-03 1.242e-03 7.490e-04 2.165348e-01 3.936480e-04 2.666662e-03 -6.000000e+00 4.925720e-03 227.39 -2.00 3.51 -2.00 315.48 0.00e+00 1.757476e-05 3.800042e-05 3.861976e-05 -6.000000e+00 2.210629e-04 285.91 -2.00 20.00 -2.00 314.79 0.00e+00 1.640 0.000 302.00 328.00 3 2.4274e+00 1.0113e-03 1.9806e-02 -6.0000e+00 1.2203e-02 1.1876e-02 1.1246e-03 1.1155e-02 -6.0000e+00 1.3213e-02 5.3523e-04 6.4438e-04 5.4913e-03 -6.0000e+00 7.8974e-03 -2.3482e-03 2.8758e-04 1.5375e-03 -6.0000e+00 3.3352e-03 7.1273e-03 -4.1794e-04 2.2899e-05 2.2148e-05 -6.0000e+00 2.4789e-04 -1.4990e-03 0.0000e+00 12 1 1 12 1 1 -16.65 22.47 0.21 -0.00150 -0.00464 61 37 1 5 0 255.790 26.21 20.00 22.47 25.93 37.8 1047.29 -1245 -1720 -1827 -3676 -1934 -250 732 1280 707 -942 -784 545 604 974 763 -181 -315 -102 725 840 -316 671 1513 605 577 92 -209 -763 288 1140 1201 1656 1123 -1019 -994 245 164 284 436 -555 -1203 -911 -1233 -1029 -661 -544 -1011 -832 -658 524 774 585 958 826 778 689 785 427 597 762 1327 1345 1185 509 -580 -259 -50 282 940 830 115 -277 -628 -554 -527 -294 84 443 1280 327 -96 -710 -1532 -1221 -1062 -1062 -764 -498 -392 -706 -251 100 240 1175 1407 1094 852 788 -209 -574 -213 -556 -10 670 135 -592 -219 -852 -93 46 -139 -282 -373 -65 -21 554 858 908 613 -32 -597 -402 -209 -209 243 256 486 1340 1014 398 602 71 280 68 210 -261 -247 128 -498 -510 -290 -288 -191 18 -310 -475 -523 -1035 -490 -62 180 341 197 -285 -240 165 194 327 289 -72 -133 -44 322 362 -142 299 671 279 280 47 -102 -382 134 531 556 761 556 -510 -518 121 83 151 259 -373 -873 -677 -954 -775 -497 -425 -784 -628 -482 372 556 442 735 668 653 570 661 364 504 634 1105 1164 1058 471 -563 -244 -45 247 810 740 111 -278 -654 -573 -523 -281 78 389 1072 289 -87 -697 -1595 -1302 -1192 -1230 -912 -605 -488 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