File name: Pandora55s1_QueensNY_20240723_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240724T050943.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240723_L1_smca1c17d20220526p1-8.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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 2.728e-02 1.109e-02 4.496e-03 2.455e-03 1.841772e-01 1.310678e-03 2.181780e-03 -6.000000e+00 1.649001e-02 232.58 -2.00 3.51 -2.00 315.90 0.00e+00 3.140789e-04 1.371281e-04 4.522737e-05 -6.000000e+00 7.398518e-04 289.79 -2.00 20.00 -2.00 315.11 0.00e+00 1.178 0.000 302.00 328.00 3 5.8696e+00 3.4226e-03 1.5293e-02 -6.0000e+00 4.1314e-02 2.2308e-02 3.8022e-03 9.5632e-03 -6.0000e+00 4.4556e-02 1.1654e-02 2.1734e-03 4.6187e-03 -6.0000e+00 2.6555e-02 -6.2405e-03 9.7676e-04 1.2891e-03 -6.0000e+00 1.1198e-02 3.7499e-04 4.2008e-04 7.6259e-05 1.7189e-05 -6.0000e+00 8.2060e-04 1.4006e-02 0.0000e+00 12 9 8 11 4 0 100.00 22.83 0.39 0.01401 0.01716 40 8 1 5 0 1246.480 26.21 20.00 22.83 33.72 38.0 1100.00 -8510 11438 -9799 -1489 4366 -3903 15809 -607 2216 -6152 1517 -3737 252 6016 146 -4420 -2612 6655 2652 59 -888 3580 -4697 1290 -1111 5059 -465 -1265 -1099 -413 3846 -995 76 -2791 6916 -3515 -713 361 1309 -1759 -535 -2217 -2307 -304 490 -1534 -464 525 30 70 -523 -608 2893 2412 840 1707 1230 425 1124 339 2965 384 -323 152 -1513 1121 -1134 1268 326 352 -330 1375 -1594 1065 -830 346 1356 457 -838 -2213 1484 -2596 -752 -2300 107 -1427 -117 -496 320 -37 -671 512 339 830 74 399 -100 317 -77 -72 -709 -145 517 258 -366 -442 -438 132 1301 -31 -313 238 -33 -654 -368 287 704 522 -628 -812 -356 925 932 586 155 -415 701 -250 -97 279 917 222 591 440 80 39 560 -416 -719 101 -708 -230 -526 -2194 2539 -2549 -332 861 -833 3047 -149 559 -1687 389 -1050 75 1880 52 -1704 -1015 2447 1036 24 -367 1430 -2052 558 -508 2212 -206 -536 -444 -165 1539 -439 34 -1273 2802 -1580 -342 197 803 -1215 -385 -1664 -1754 -228 364 -1144 -335 368 21 49 -378 -461 2214 1907 683 1403 1019 353 919 282 2487 345 -306 147 -1448 989 -963 1047 286 334 -332 1398 -1654 1052 -791 304 1100 362 -692 -1991 1398 -2687 -801 -2568 123 -1738 -147 -634 405 -45 -793 561 350 834 78 441 -119 399 -100 -93 -880 -170 591 303 -452 -570 -581 180 1811 -45 -468 355 -47 -906 -482 359 872 666 -843 -1140 -509 1311 1301 798 205 -532 862 -308 -122 368 1233 306 818 624 118 59 868 -657 -1146 159 -1100 -348 -790 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 8.295e-03 6.544e-03 9.182e-04 6.444e-04 1.780663e-01 3.480659e-04 2.156557e-03 -6.000000e+00 5.015042e-03 232.58 -2.00 3.51 -2.00 314.87 0.00e+00 -1.565991e-05 2.952013e-05 3.288791e-05 -6.000000e+00 2.249943e-04 289.79 -2.00 20.00 -2.00 314.17 0.00e+00 1.168 0.000 302.00 328.00 3 3.3051e+00 8.9874e-04 1.5046e-02 -6.0000e+00 1.2565e-02 2.2129e-02 9.9272e-04 9.2945e-03 -6.0000e+00 1.3550e-02 2.5328e-03 5.6692e-04 4.5088e-03 -6.0000e+00 8.0759e-03 -3.1374e-03 2.4613e-04 1.2313e-03 -6.0000e+00 3.4058e-03 5.0136e-03 4.2572e-04 1.9784e-05 1.8425e-05 -6.0000e+00 2.4955e-04 1.3406e-02 0.0000e+00 12 9 1 12 13 1 99.99 22.83 0.16 0.01341 0.01660 103 27 1 5 0 351.590 26.21 20.00 22.83 32.94 38.1 1100.00 -1822 -2053 -3071 -1606 313 673 1989 1053 -363 -382 934 739 466 732 -605 -735 30 806 902 -83 868 1337 660 589 207 -351 -814 199 1204 1327 1682 1382 -1012 -852 626 108 111 322 -528 -1367 -1079 -1339 -1197 -866 -700 -1124 -931 -789 497 678 488 535 966 702 658 823 296 795 852 1406 1174 1074 350 -641 -224 83 346 1223 858 121 -277 -523 -626 -571 -305 24 594 1156 235 -51 -637 -1444 -1213 -1051 -968 -766 -442 -374 -591 -78 87 401 1204 1389 1296 724 599 -295 -488 -306 -441 -109 890 88 -645 -328 -684 -201 -11 -18 -312 -315 -156 -145 397 753 781 716 -60 -612 -318 -167 -280 261 242 412 1327 1017 429 595 37 171 155 302 -263 -158 140 -422 -480 -257 -256 -307 -53 -648 -746 -1094 -531 96 206 643 371 -135 -143 346 284 192 326 -289 -362 15 407 463 -43 455 700 353 326 118 -201 -458 107 615 673 877 753 -571 -476 337 59 65 210 -380 -1060 -872 -1103 -996 -719 -580 -923 -750 -622 384 527 389 441 818 608 578 732 265 707 752 1243 1061 1012 344 -642 -220 77 309 1082 793 119 -285 -550 -656 -585 -300 22 519 984 205 -47 -630 -1505 -1306 -1166 -1110 -911 -541 -465 -733 -95 101 440 1256 1422 1360 799 698 -362 -614 -381 -533 -126 1009 102 -780 -410 -875 -263 -15 -24 -438 -444 -215 -191 499 915 945 884 -77 -818 -432 -226 -375 341 308 511 1591 1217 526 753 48 225 205 407 -365 -226 204 -622 -711 -377 -371 -438 -75 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 8.261e-03 6.575e-03 8.746e-04 6.371e-04 1.727427e-01 3.451409e-04 2.101306e-03 -6.000000e+00 4.995234e-03 232.58 -2.00 3.51 -2.00 314.68 0.00e+00 1.517098e-05 2.815781e-05 3.141385e-05 -6.000000e+00 2.240868e-04 289.79 -2.00 20.00 -2.00 314.01 0.00e+00 1.137 0.000 302.00 328.00 3 2.5589e+00 8.8953e-04 1.4631e-02 -6.0000e+00 1.2515e-02 7.6854e-03 9.8124e-04 9.0315e-03 -6.0000e+00 1.3496e-02 2.0826e-03 5.6091e-04 4.3845e-03 -6.0000e+00 8.0437e-03 -3.0357e-03 2.4239e-04 1.2002e-03 -6.0000e+00 3.3927e-03 1.1092e-02 4.6568e-04 1.9564e-05 1.8045e-05 -6.0000e+00 2.4854e-04 1.2659e-02 0.0000e+00 12 9 1 12 5 1 99.88 22.83 0.18 0.01266 0.01616 73 43 1 5 0 220.150 26.21 19.99 22.83 32.47 38.1 1100.00 -1687 -2492 -3021 -1409 149 1470 1512 1081 -727 -65 1099 955 844 580 -411 -338 259 292 672 -150 931 1077 816 422 320 -588 -696 370 1199 1409 1568 1565 -954 -641 379 319 221 360 -883 -1474 -950 -1275 -1204 -838 -763 -1085 -812 -688 321 771 568 810 701 733 448 815 343 632 668 1337 1098 1063 417 -684 -234 -23 439 1219 890 78 -207 -664 -321 -681 -163 178 565 1242 245 112 -667 -1340 -1184 -1022 -1064 -747 -436 -389 -589 -234 228 214 1116 1352 1182 794 778 -351 -500 -407 -441 74 737 156 -709 -278 -772 -134 -122 -76 -280 -371 -167 -157 582 609 806 666 5 -473 -367 -210 -221 244 214 474 1435 1004 491 578 37 201 207 277 -233 -231 131 -466 -509 -260 -289 -352 28 -645 -985 -1152 -513 49 479 535 399 -290 -26 431 393 360 277 -203 -175 136 158 370 -81 498 576 448 243 192 -358 -408 201 642 743 860 861 -558 -366 216 175 135 235 -651 -1170 -768 -1069 -1023 -710 -643 -902 -652 -555 250 601 464 667 605 628 393 724 308 562 587 1174 1005 999 404 -689 -227 -21 389 1100 830 78 -215 -692 -331 -704 -162 165 494 1077 214 104 -662 -1402 -1264 -1148 -1232 -891 -529 -484 -730 -277 267 236 1156 1403 1233 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