File name: Pandora55s1_QueensNY_20240311_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T132722.3Z 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_20240311_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: 20240311 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 20240311T144223.9Z 8836.612777 157 1 52.23 2 54.82 134.56 60.90 114.62 0.00 1 0.00 1 0 25 9.712e-03 6.143e-03 5.301e-04 1.864e-04 3.142253e-01 9.653032e-05 3.796452e-03 -6.000000e+00 5.721994e-03 226.05 -2.00 3.51 -2.00 316.94 0.00e+00 7.124043e-05 1.273635e-05 8.378789e-05 -6.000000e+00 2.488963e-04 276.91 -2.00 20.00 -2.00 316.33 0.00e+00 1.731 0.000 302.00 328.00 3 4.9858e-01 2.5211e-04 2.3644e-02 -6.0000e+00 1.4175e-02 2.4246e-02 2.8254e-04 1.5947e-02 -6.0000e+00 1.5393e-02 -7.9208e-03 1.6759e-04 7.9109e-03 -6.0000e+00 9.1591e-03 -4.4456e-04 8.0611e-05 2.2368e-03 -6.0000e+00 3.8403e-03 3.7370e-02 -1.8719e-04 5.6968e-06 2.9426e-05 -6.0000e+00 2.8960e-04 4.6636e-03 0.0000e+00 10 0 0 10 0 0 100.00 22.58 0.22 0.00466 0.00326 2400 454 1 5 0 21.020 25.90 20.00 22.58 10.31 35.6 1039.57 -2075 -2839 -3676 -4410 -3152 -1651 -947 -338 63 -1311 -998 273 322 562 439 -337 -250 -1436 370 441 -56 940 1344 795 467 61 -789 -814 263 1322 1313 1636 1381 -1042 -754 -15 59 450 445 -616 -1093 -916 -1151 -926 -689 -525 -833 -630 -495 498 807 654 939 747 647 629 830 278 649 868 1498 1372 1311 542 -638 -42 4 387 1216 795 126 -348 -708 -546 -780 -158 229 519 1208 247 78 -746 -1471 -1257 -1128 -1110 -749 -525 -479 -598 -126 306 410 1298 1423 1247 879 749 -353 -504 -401 -563 41 751 -37 -772 -342 -721 -89 -60 -86 -299 -209 -65 -5 605 838 811 591 -108 -557 -438 -228 -304 205 172 492 1367 916 378 440 -32 239 135 219 -300 -180 179 -429 -415 -204 -227 -238 24 -242 -375 -473 -604 -393 -190 -110 -43 9 -188 -146 41 53 105 95 -77 -61 -375 99 123 -16 270 389 241 151 20 -257 -257 84 403 409 552 477 -390 -279 -5 21 184 203 -316 -600 -542 -711 -583 -435 -331 -523 -389 -301 299 499 432 628 531 481 459 619 210 484 636 1095 1048 1081 463 -551 -38 4 319 1001 681 115 -330 -693 -528 -753 -140 191 418 946 209 71 -730 -1521 -1327 -1257 -1266 -871 -640 -596 -739 -148 347 444 1354 1471 1316 989 902 -453 -681 -535 -705 48 886 -45 -973 -437 -970 -121 -86 -127 -449 -319 -96 -7 827 1121 1078 818 -155 -813 -652 -335 -434 290 240 652 1788 1208 512 618 -46 355 206 336 -472 -297 293 -721 -699 -337 -373 -386 37 SS 20240311T144701.0Z 8836.615983 160 1 52.32 2 54.20 135.76 60.11 115.54 0.00 1 0.00 1 0 25 9.711e-03 6.171e-03 4.897e-04 1.783e-04 3.101354e-01 9.240822e-05 3.755434e-03 -6.000000e+00 5.721499e-03 226.05 -2.00 3.51 -2.00 316.86 0.00e+00 8.582585e-05 1.190077e-05 8.656070e-05 -6.000000e+00 2.488794e-04 276.91 -2.00 20.00 -2.00 316.26 0.00e+00 1.705 0.000 302.00 328.00 3 4.5411e-01 2.4116e-04 2.3317e-02 -6.0000e+00 1.4173e-02 2.4057e-02 2.7021e-04 1.5743e-02 -6.0000e+00 1.5392e-02 -8.2326e-03 1.5957e-04 7.8180e-03 -6.0000e+00 9.1584e-03 -4.2262e-04 7.6508e-05 2.2169e-03 -6.0000e+00 3.8399e-03 4.0331e-02 -1.8982e-04 5.4384e-06 2.8625e-05 -6.0000e+00 2.8959e-04 4.8103e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.57 0.22 0.00481 0.00338 2433 460 1 5 0 20.740 25.90 20.00 22.57 10.81 35.6 1042.14 -2187 -2784 -3780 -4233 -3123 -1826 -1077 -104 -41 -1403 -752 273 544 361 502 -385 -284 -1243 479 410 -55 1063 1232 998 485 30 -757 -716 227 1387 1352 1602 1420 -996 -690 -59 133 406 503 -582 -1130 -950 -1094 -1003 -761 -528 -853 -639 -553 526 749 691 903 776 692 569 800 302 639 835 1490 1348 1282 463 -598 -63 -11 414 1186 820 122 -306 -726 -557 -767 -205 212 548 1225 263 82 -781 -1497 -1268 -1138 -1119 -751 -539 -499 -611 -125 314 421 1320 1418 1226 867 748 -361 -517 -400 -512 12 726 -37 -752 -323 -737 -132 -58 -103 -310 -224 -94 -15 605 810 818 609 -101 -579 -442 -241 -299 220 152 500 1384 934 360 476 -51 249 120 229 -288 -167 159 -421 -437 -213 -217 -220 41 -270 -358 -514 -563 -411 -222 -132 -14 -6 -212 -116 43 93 71 114 -92 -73 -338 134 119 -16 318 371 314 152 10 -256 -235 75 438 437 522 507 -385 -264 -22 50 171 236 -307 -640 -579 -696 -617 -469 -325 -522 -406 -346 325 475 443 619 537 501 425 610 234 488 626 1115 1055 1032 387 -528 -55 -10 331 949 716 114 -296 -725 -549 -722 -185 180 449 978 215 72 -744 -1509 -1362 -1239 -1298 -888 -644 -608 -740 -150 362 464 1399 1487 1314 989 913 -470 -683 -522 -650 14 868 -44 -925 -419 -970 -181 -81 -149 -472 -335 -140 -22 836 1097 1099 822 -141 -855 -643 -358 -431 314 208 671 1763 1200 493 675 -74 373 179 354 -456 -269 264 -714 -744 -355 -348 -350 63 SS 20240311T145450.8Z 8836.621422 166 1 52.24 2 53.19 137.83 58.79 117.13 0.00 1 0.00 1 0 25 9.503e-03 6.185e-03 4.646e-04 1.748e-04 3.048139e-01 9.064790e-05 3.692223e-03 -6.000000e+00 5.599132e-03 226.05 -2.00 3.51 -2.00 316.80 0.00e+00 7.231310e-05 1.146416e-05 8.138238e-05 -6.000000e+00 2.435508e-04 276.91 -2.00 20.00 -2.00 316.19 0.00e+00 1.665 0.000 302.00 328.00 3 4.6318e-01 2.3633e-04 2.2834e-02 -6.0000e+00 1.3870e-02 2.4360e-02 2.6467e-04 1.5466e-02 -6.0000e+00 1.5063e-02 -8.0678e-03 1.5577e-04 7.6799e-03 -6.0000e+00 8.9624e-03 -3.7285e-04 7.4226e-05 2.1751e-03 -6.0000e+00 3.7578e-03 4.1902e-02 -1.7066e-04 5.3464e-06 2.8832e-05 -6.0000e+00 2.8338e-04 4.6160e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.58 0.22 0.00462 0.00333 2523 477 1 5 0 20.000 25.90 19.99 22.58 11.33 35.5 1044.93 -2016 -2664 -3594 -4200 -2963 -1696 -646 67 -14 -1453 -636 195 608 517 352 -265 -213 -1195 396 498 -34 1023 1207 868 475 87 -692 -845 235 1504 1230 1561 1404 -1067 -818 -106 121 429 530 -557 -1184 -954 -1134 -954 -702 -578 -869 -673 -544 486 770 666 952 778 675 584 821 285 650 870 1495 1323 1275 543 -604 -16 -17 384 1187 823 97 -343 -740 -550 -772 -156 189 546 1236 246 82 -747 -1441 -1265 -1155 -1095 -754 -578 -481 -616 -160 269 379 1274 1426 1207 857 741 -361 -501 -376 -553 35 735 -63 -757 -301 -748 -105 -43 -126 -290 -213 -89 -13 589 820 817 612 -80 -587 -442 -243 -291 192 156 522 1391 934 375 482 -34 273 134 222 -307 -181 157 -431 -402 -231 -229 -223 -2 -261 -360 -512 -586 -408 -216 -83 9 -2 -229 -102 32 108 105 83 -65 -56 -336 114 149 -11 316 376 282 154 30 -241 -285 80 487 408 521 513 -422 -320 -40 47 173 254 -300 -683 -593 -696 -596 -440 -362 -541 -434 -345 304 495 432 660 544 493 441 633 223 501 659 1130 1045 1035 457 -538 -14 -15 309 954 722 91 -333 -742 -544 -729 -141 162 449 989 202 72 -711 -1451 -1358 -1256 -1268 -891 -690 -586 -746 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