File name: Pandora55s1_QueensNY_20240712_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T141636.8Z 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_20240712_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: 20240712 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 20240712T124602.4Z 8959.531973 137 1 9.27 2 56.37 89.03 125.33 56.88 0.00 1 0.00 1 0 25 9.350e-03 6.528e-03 3.315e-03 1.693e-03 2.461554e-01 9.030015e-04 2.948073e-03 -6.000000e+00 5.652415e-03 232.89 -2.00 3.51 -2.00 316.07 0.00e+00 9.495929e-05 9.784449e-05 6.160855e-05 -6.000000e+00 2.523359e-04 289.36 -2.00 20.00 -2.00 315.27 0.00e+00 1.800 0.000 302.00 328.00 3 3.1883e+00 2.3619e-03 2.2240e-02 -6.0000e+00 1.4175e-02 1.7332e-02 2.6242e-03 1.2896e-02 -6.0000e+00 1.5280e-02 -3.3782e-03 1.5023e-03 6.2269e-03 -6.0000e+00 9.1103e-03 -9.6997e-04 6.7876e-04 1.6976e-03 -6.0000e+00 3.8156e-03 2.6738e-03 -3.4926e-04 5.2015e-05 2.2987e-05 -6.0000e+00 2.7940e-04 2.6177e-03 0.0000e+00 12 9 1 12 1 1 98.91 22.80 0.18 0.00262 -0.00001 13 14 1 5 0 661.080 26.11 20.01 22.80 28.44 37.6 1087.32 -1839 -3516 -1483 -3748 -1430 -518 441 1457 1272 -1774 -476 -153 -262 46 1503 -1180 -458 -468 1119 1479 -743 1542 1156 -244 66 664 627 -991 365 448 336 1996 1831 -1360 -333 854 -396 472 829 -49 -1827 -978 -729 -868 -1012 -406 -1380 -320 -668 655 601 719 705 1130 681 500 872 147 908 748 1603 1453 1393 10 -438 -549 33 -3 1219 733 30 -239 -764 -704 -617 -193 239 562 1351 444 126 -789 -1351 -1200 -1368 -1067 -576 -370 -413 -704 -260 61 248 1520 1207 1163 540 660 -402 -290 -654 -392 -109 1111 47 -569 -281 -654 -84 -101 -261 -589 -335 -46 -74 517 759 1061 695 -24 -597 -60 -113 -125 102 193 326 1323 915 455 579 185 387 20 265 -384 -250 -26 -334 -344 -351 -69 -316 -169 -362 -760 -326 -822 -287 -97 83 295 282 -425 -114 -37 -67 13 460 -399 -161 -170 412 558 -290 596 451 -99 28 287 273 -427 149 178 135 824 799 -629 -152 377 -179 229 449 -30 -1211 -673 -514 -621 -726 -290 -985 -224 -461 446 414 514 524 864 538 402 710 121 740 606 1300 1207 1210 9 -410 -509 29 -2 1030 651 29 -236 -774 -712 -608 -182 212 474 1117 380 115 -771 -1396 -1284 -1514 -1221 -683 -452 -511 -870 -314 71 272 1587 1251 1244 609 788 -508 -375 -844 -488 -130 1292 56 -706 -360 -860 -113 -140 -373 -863 -492 -67 -102 688 978 1359 912 -32 -843 -86 -162 -176 140 259 427 1678 1165 596 786 258 549 29 388 -580 -388 -41 -533 -551 -559 -108 -486 -257 SS 20240712T132009.7Z 8959.555668 162 1 5.68 2 49.91 94.77 119.99 64.34 0.00 1 0.00 1 0 25 8.596e-03 6.635e-03 1.540e-03 9.575e-04 2.131222e-01 5.136928e-04 2.575448e-03 -6.000000e+00 5.196247e-03 232.89 -2.00 3.51 -2.00 315.39 0.00e+00 1.416722e-04 4.818519e-05 4.530594e-05 -6.000000e+00 2.320028e-04 289.37 -2.00 20.00 -2.00 314.65 0.00e+00 1.550 0.000 302.00 328.00 3 1.9425e+00 1.3329e-03 1.9198e-02 -6.0000e+00 1.3031e-02 1.2252e-02 1.4753e-03 1.1174e-02 -6.0000e+00 1.4048e-02 -3.6268e-03 8.4232e-04 5.4074e-03 -6.0000e+00 8.3754e-03 -1.0939e-03 3.6959e-04 1.4843e-03 -6.0000e+00 3.5072e-03 1.2623e-02 -3.5626e-04 2.9244e-05 2.1421e-05 -6.0000e+00 2.5690e-04 3.5674e-03 0.0000e+00 12 9 1 12 1 1 98.21 22.79 0.22 0.00357 0.00089 36 62 1 5 0 153.380 26.11 20.01 22.79 31.31 37.8 1100.00 -1351 -1645 -2100 -3767 -1488 -792 758 653 967 -923 -298 432 928 641 1079 -413 -460 205 731 870 -196 1487 1180 780 478 212 -460 -1186 -26 1671 1327 1522 1468 -1096 -553 16 496 158 488 -492 -1442 -680 -984 -1024 -944 -811 -1093 -717 -488 637 730 574 768 783 499 427 805 343 610 956 1499 1159 1075 319 -779 -320 -10 298 1189 963 6 -345 -716 -533 -760 -310 86 570 1327 363 122 -790 -1483 -1346 -965 -1015 -702 -353 -514 -678 -160 40 351 1305 1316 1408 767 666 -347 -553 -435 -522 133 691 142 -737 -249 -768 -100 -20 -86 -401 -268 -146 -22 696 912 875 736 -47 -561 -325 -263 -229 190 146 522 1537 1057 450 467 -92 193 27 275 -313 -274 141 -587 -301 -321 -156 -326 77 -356 -479 -634 -1114 -393 -207 196 184 283 -292 -95 137 311 226 426 -171 -201 92 318 389 -91 682 544 372 241 106 -233 -615 -13 752 598 723 746 -564 -294 8 256 87 300 -325 -1032 -517 -747 -790 -730 -623 -832 -553 -364 462 536 443 602 646 411 361 690 298 524 809 1270 1027 982 302 -744 -307 -9 264 1037 873 6 -351 -730 -558 -765 -300 77 485 1125 313 112 -788 -1564 -1455 -1061 -1152 -822 -434 -630 -827 -192 47 391 1374 1351 1513 847 784 -435 -706 -548 -638 155 799 165 -895 -319 -1005 -132 -28 -121 -575 -387 -208 -31 894 1137 1081 947 -64 -780 -451 -364 -317 253 191 665 1909 1312 571 610 -123 264 37 384 -451 -415 213 -914 -470 -495 -233 -485 112 SS 20240712T132410.3Z 8959.558452 165 1 50.36 2 49.16 95.48 119.34 65.16 0.00 1 0.00 1 0 17 8.784e-03 6.433e-03 9.295e-04 5.607e-04 2.092001e-01 3.002287e-04 2.529161e-03 -6.000000e+00 5.310173e-03 232.89 -2.00 3.51 -2.00 315.48 0.00e+00 3.151833e-05 2.875612e-05 4.067824e-05 -6.000000e+00 2.370853e-04 289.37 -2.00 20.00 -2.00 314.74 0.00e+00 1.526 0.000 302.00 328.00 3 3.0729e+00 7.8031e-04 1.8889e-02 -6.0000e+00 1.3316e-02 1.4293e-02 8.6487e-04 1.0977e-02 -6.0000e+00 1.4356e-02 -1.1952e-03 4.9291e-04 5.3112e-03 -6.0000e+00 8.5590e-03 -1.8685e-03 2.1706e-04 1.4489e-03 -6.0000e+00 3.5842e-03 4.1973e-03 -3.3961e-04 1.7095e-05 2.0357e-05 -6.0000e+00 2.6252e-04 3.4298e-03 0.0000e+00 11 8 0 10 0 0 99.90 22.80 0.21 0.00343 0.00088 142 27 1 5 0 354.540 26.11 20.01 22.80 31.92 37.8 1100.00 -1514 -1926 -2153 -3765 -1952 449 407 2235 800 -689 -685 612 530 489 1078 -463 -816 1279 767 638 -264 920 1138 589 594 145 46 -833 228 1295 1404 1776 1529 -1156 -767 453 -36 167 601 -510 -1355 -1097 -1213 -1236 -1047 -714 -1118 -814 -693 423 696 680 753 797 679 583 856 348 685 874 1357 1291 1152 306 -672 -399 32 253 1202 812 225 -218 -517 -492 -723 -180 77 587 1103 262 -111 -651 -1425 -1190 -1127 -944 -674 -508 -441 -663 -81 260 307 1188 1376 1257 780 640 -258 -491 -428 -439 -2 849 98 -732 -248 -680 -116 16 -72 -412 -313 -136 -142 565 807 818 718 -46 -578 -453 -201 -134 153 299 506 1360 894 357 518 -44 243 76 242 -258 -206 121 -382 -482 -247 -256 -192 7 -384 -539 -623 -1066 -496 111 101 555 224 -209 -209 185 171 164 405 -183 -340 539 335 287 -123 426 528 267 283 72 23 -408 110 586 633 840 732 -592 -385 216 -17 91 365 -333 -953 -824 -946 -938 -794 -562 -872 -616 -508 301 501 514 577 641 568 500 714 294 572 751 1170 1111 1063 292 -643 -385 29 218 1060 742 221 -222 -525 -516 -729 -174 70 505 909 228 -103 -649 -1499 -1278 -1231 -1098 -806 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