File name: Pandora55s1_QueensNY_20240723_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T142505.9Z 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_20240723_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: 20240723 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 20240723T150817.7Z 8970.630761 359 1 49.87 2 31.92 122.26 123.22 279.67 0.00 1 0.00 1 0 17 2.732e-02 1.110e-02 4.570e-03 2.463e-03 1.841445e-01 1.310265e-03 2.189848e-03 -6.000000e+00 1.649933e-02 232.58 -2.00 3.51 -2.00 315.88 0.00e+00 3.463008e-04 1.368228e-04 4.235715e-05 -6.000000e+00 7.386632e-04 289.79 -2.00 20.00 -2.00 315.10 0.00e+00 1.178 0.000 302.00 328.00 3 5.9942e+00 3.4215e-03 1.5302e-02 -6.0000e+00 4.1337e-02 2.2227e-02 3.8011e-03 9.5813e-03 -6.0000e+00 4.4568e-02 1.1350e-02 2.1705e-03 4.6327e-03 -6.0000e+00 2.6586e-02 -5.9454e-03 9.7050e-04 1.2921e-03 -6.0000e+00 1.1148e-02 3.2920e-04 -2.7666e-04 7.6222e-05 1.7257e-05 -6.0000e+00 8.1632e-04 2.0092e-03 0.0000e+00 12 8 8 10 0 0 100.00 22.83 0.39 0.00201 -0.00007 40 8 1 5 0 1246.480 26.21 20.00 22.83 33.72 38.0 1100.00 -2267 -8333 11531 -9793 -1526 4393 -3774 15991 -472 2266 -6158 1539 -3630 406 6167 259 -4341 -2544 6727 2721 111 -861 3609 -4650 1330 -1106 5015 -547 -1349 -1144 -390 3910 -933 96 -2824 6898 -3458 -593 492 1402 -1714 -526 -2226 -2325 -326 470 -1563 -496 497 17 84 -492 -582 2909 2415 832 1692 1202 388 1095 331 2980 408 -309 144 -1551 1072 -1166 1270 356 376 -323 1365 -1617 1031 -873 300 1322 446 -825 -2193 1499 -2587 -747 -2296 112 -1425 -118 -500 314 -44 -679 505 334 826 73 398 -102 317 -73 -64 -697 -133 522 252 -373 -447 -441 129 1295 -36 -313 250 -8 -621 -336 306 703 509 -649 -825 -354 940 955 617 188 -380 727 -254 -124 253 903 217 579 413 45 11 540 -429 -719 116 -685 -209 -528 -513 -2156 2569 -2557 -342 870 -808 3093 -116 574 -1694 396 -1023 121 1934 93 -1679 -992 2482 1066 46 -357 1447 -2039 577 -508 2200 -243 -573 -464 -156 1570 -413 44 -1292 2804 -1560 -286 270 863 -1187 -380 -1671 -1774 -245 351 -1169 -360 349 12 59 -357 -443 2234 1915 679 1395 1000 324 899 275 2499 367 -294 139 -1489 949 -994 1053 314 359 -326 1393 -1684 1023 -835 264 1076 355 -684 -1980 1418 -2687 -798 -2573 129 -1741 -148 -641 400 -54 -805 555 346 833 76 441 -121 399 -96 -83 -868 -157 598 297 -462 -578 -588 176 1809 -52 -467 373 -12 -864 -441 384 875 651 -874 -1163 -509 1337 1338 842 249 -489 896 -314 -157 334 1219 300 806 589 67 16 840 -679 -1151 183 -1068 -317 -795 SS 20240723T151254.5Z 8970.633964 362 1 36.58 2 31.19 123.79 124.03 280.51 0.00 1 0.00 1 0 25 8.390e-03 6.577e-03 9.290e-04 6.464e-04 1.780402e-01 3.480617e-04 2.164066e-03 -6.000000e+00 5.067691e-03 232.58 -2.00 3.51 -2.00 314.83 0.00e+00 5.222290e-06 2.944613e-05 3.037842e-05 -6.000000e+00 2.268582e-04 289.79 -2.00 20.00 -2.00 314.15 0.00e+00 1.168 0.000 302.00 328.00 3 3.4297e+00 8.9881e-04 1.5056e-02 -6.0000e+00 1.2697e-02 2.1991e-02 9.9268e-04 9.3126e-03 -6.0000e+00 1.3688e-02 2.4247e-03 5.6674e-04 4.5248e-03 -6.0000e+00 8.1655e-03 -2.9756e-03 2.4475e-04 1.2377e-03 -6.0000e+00 3.4245e-03 4.4018e-03 -2.5422e-04 1.9786e-05 1.8436e-05 -6.0000e+00 2.5069e-04 1.2067e-03 0.0000e+00 12 9 1 12 9 1 99.99 22.83 0.16 0.00121 -0.00070 103 27 1 5 0 351.590 26.21 20.00 22.83 32.94 38.1 1100.00 -855 -1713 -2024 -3124 -1696 283 748 2123 1154 -339 -410 927 810 582 844 -530 -694 62 842 936 -60 868 1343 688 615 204 -398 -898 111 1150 1334 1727 1425 -1007 -896 598 153 217 441 -442 -1325 -1071 -1347 -1215 -888 -722 -1153 -965 -819 481 687 514 557 979 704 653 813 274 767 830 1401 1188 1096 364 -647 -257 40 318 1226 886 144 -268 -529 -643 -596 -339 -11 568 1149 246 -34 -624 -1436 -1209 -1047 -964 -763 -442 -376 -593 -81 85 401 1205 1388 1293 718 593 -299 -486 -296 -425 -94 894 80 -656 -335 -690 -207 -20 -26 -314 -303 -129 -108 432 773 780 697 -86 -631 -320 -152 -257 293 276 448 1354 1011 398 565 21 165 143 273 -301 -188 120 -434 -479 -239 -230 -283 -52 -284 -612 -738 -1118 -562 87 230 689 407 -127 -154 344 312 241 377 -253 -344 31 427 483 -32 457 706 369 341 116 -230 -507 59 589 679 904 777 -571 -502 323 84 127 287 -320 -1032 -866 -1115 -1016 -740 -600 -950 -780 -649 373 536 411 461 831 612 575 725 246 683 734 1243 1078 1036 358 -651 -253 37 286 1085 820 142 -277 -558 -676 -613 -335 -10 498 981 216 -32 -619 -1503 -1303 -1163 -1110 -912 -542 -468 -738 -98 100 442 1259 1426 1361 795 692 -367 -614 -370 -515 -109 1017 93 -796 -420 -886 -271 -27 -36 -442 -427 -178 -143 545 942 945 865 -111 -844 -435 -207 -345 384 353 556 1629 1214 490 718 27 218 190 370 -419 -270 174 -641 -712 -353 -334 -403 -74 SS 20240723T153107.0Z 8970.646608 368 1 16.30 2 28.44 130.40 127.20 283.94 0.00 1 0.00 1 0 25 8.350e-03 6.606e-03 8.829e-04 6.389e-04 1.726886e-01 3.449033e-04 2.108196e-03 -6.000000e+00 5.044099e-03 232.58 -2.00 3.51 -2.00 314.64 0.00e+00 3.680172e-05 2.806886e-05 2.924894e-05 -6.000000e+00 2.257881e-04 289.79 -2.00 20.00 -2.00 313.98 0.00e+00 1.137 0.000 302.00 328.00 3 2.6836e+00 8.8906e-04 1.4639e-02 -6.0000e+00 1.2638e-02 7.4616e-03 9.8060e-04 9.0473e-03 -6.0000e+00 1.3624e-02 1.9757e-03 5.6057e-04 4.4001e-03 -6.0000e+00 8.1273e-03 -2.8596e-03 2.4086e-04 1.2071e-03 -6.0000e+00 3.4088e-03 9.7387e-03 -2.3494e-04 1.9538e-05 1.8036e-05 -6.0000e+00 2.4950e-04 5.9428e-04 0.0000e+00 12 9 1 12 1 1 99.88 22.83 0.18 0.00059 -0.00117 73 43 1 5 0 220.150 26.21 19.99 22.83 32.47 38.1 1100.00 -835 -1572 -2456 -3058 -1485 128 1551 1655 1192 -700 -91 1092 1027 964 698 -333 -293 294 327 705 -120 937 1084 844 443 314 -633 -777 283 1148 1415 1610 1604 -949 -686 350 360 322 478 -801 -1434 -945 -1284 -1222 -858 -787 -1114 -845 -719 304 780 591 829 712 732 439 801 319 603 645 1332 1110 1083 429 -692 -266 -66 409 1218 912 97 -203 -673 -339 -706 -196 142 541 1233 252 124 -658 -1336 -1181 -1021 -1063 -747 -438 -392 -592 -236 227 214 1117 1351 1176 786 771 -358 -500 -397 -425 90 739 146 -722 -286 -778 -141 -132 -86 -281 -358 -138 -120 619 629 805 645 -23 -492 -368 -196 -198 278 250 512 1464 1000 460 548 21 195 196 248 -271 -263 110 -480 -508 -242 -263 -327 31 -311 -603 -974 -1170 -543 42 507 587 442 -280 -36 430 423 413 334 -165 -152 155 177 390 -65 503 581 464 256 189 -387 -457 154 617 749 886 886 -556 -393 201 199 198 313 -592 -1142 -766 -1080 -1042 -730 -664 -929 -681 -582 237 610 483 685 617 629 386 714 288 538 568 1174 1020 1022 417 -700 -259 -62 364 1103 853 97 -211 -704 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