File name: Pandora55s1_QueensNY_20230602_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T113958.9Z 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_20230602_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: 20230602 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 20230602T173230.8Z 8553.730912 419 1 50.38 2 20.28 207.03 148.05 60.07 0.00 1 0.00 1 0 17 3.398e-02 2.016e-02 2.384e-03 1.613e-03 1.820468e-01 8.644585e-04 2.142852e-03 -6.000000e+00 2.048813e-02 232.17 -2.00 3.51 -2.00 314.94 0.00e+00 1.430236e-03 7.371441e-05 1.178645e-04 -6.000000e+00 9.022590e-04 285.46 -2.00 20.00 -2.00 314.31 0.00e+00 1.066 0.000 302.00 328.00 3 5.5878e+00 2.2327e-03 1.4340e-02 -6.0000e+00 5.1356e-02 5.8393e-02 2.4673e-03 9.5383e-03 -6.0000e+00 5.5433e-02 -2.1657e-02 1.4059e-03 4.5414e-03 -6.0000e+00 3.2990e-02 7.4413e-03 6.0888e-04 1.6601e-03 -6.0000e+00 1.3779e-02 5.4978e-04 -8.7628e-04 4.9213e-05 1.9557e-05 -6.0000e+00 1.0153e-03 3.4620e-03 0.0000e+00 12 8 8 10 0 0 79.25 22.67 0.26 0.00346 -0.00312 13 2 1 5 0 3874.560 26.00 20.01 22.67 40.68 36.2 1100.00 859 -1512 9433 -1995 3176 5573 2933 8656 2134 842 -1589 -794 -240 1021 5150 2202 96 -33222 6223 4658 4616 3627 3829 -78 972 -523 2760 -1398 -541 461 1770 3015 2239 -541 509 4103 -259 101 1041 312 -2082 -166 -2141 -1694 -885 776 -1062 1166 2 1605 690 232 794 1906 1464 218 1801 166 464 475 410 1641 1030 -333 144 -1295 676 -168 1307 963 -194 170 95 -978 13 -860 101 782 -81 -306 -1089 -117 -1054 -1265 -1526 -625 -1071 -353 -841 -310 -157 -52 141 406 326 574 181 636 120 -444 139 -184 271 856 178 -561 -594 -986 -135 580 307 -460 167 0 -198 258 289 1047 412 -20 -736 -259 377 398 311 -365 20 776 393 -148 589 466 557 532 863 -141 298 256 -305 -540 -553 -441 -424 -486 276 -531 3107 -698 993 1596 854 2555 716 298 -575 -284 -89 408 2170 1014 46 -20723 2993 2313 2327 1848 1943 -42 525 -292 1513 -768 -283 231 873 1523 1190 -300 277 2111 -139 58 665 222 -1616 -133 -1771 -1413 -736 637 -873 929 2 1230 534 186 654 1605 1263 192 1590 149 412 418 363 1480 970 -329 145 -1291 633 -151 1150 888 -192 175 100 -1033 13 -849 93 678 -69 -267 -1017 -115 -1099 -1367 -1705 -722 -1287 -436 -1057 -388 -192 -61 156 426 336 605 201 745 148 -565 174 -224 315 973 208 -682 -748 -1275 -178 781 426 -654 237 0 -264 327 354 1269 512 -25 -992 -355 514 536 410 -468 24 935 472 -182 749 606 735 708 1166 -198 427 374 -452 -805 -821 -643 -607 -689 SS 20230602T173801.5Z 8553.734740 422 1 50.89 2 20.78 210.38 147.19 61.72 0.00 1 0.00 1 0 17 3.788e-02 2.303e-02 2.356e-03 1.591e-03 1.836355e-01 8.522256e-04 2.153015e-03 -6.000000e+00 2.284089e-02 232.17 -2.00 3.51 -2.00 314.94 0.00e+00 1.853500e-03 7.282537e-05 1.367733e-04 -6.000000e+00 1.005730e-03 285.46 -2.00 20.00 -2.00 314.31 0.00e+00 1.069 0.000 302.00 328.00 3 5.5642e+00 2.2009e-03 1.4436e-02 -6.0000e+00 5.7254e-02 6.3777e-02 2.4319e-03 9.7524e-03 -6.0000e+00 6.1796e-02 -2.6196e-02 1.3856e-03 4.5801e-03 -6.0000e+00 3.6777e-02 8.6173e-03 6.0063e-04 1.8753e-03 -6.0000e+00 1.5363e-02 5.5778e-04 -7.3932e-04 4.8550e-05 2.0389e-05 -6.0000e+00 1.1316e-03 2.3989e-03 0.0000e+00 12 8 8 10 0 0 85.95 22.67 0.40 0.00240 -0.00316 13 2 1 5 0 3914.000 26.00 19.97 22.67 39.97 36.1 1100.00 1588 635 9860 -641 4853 7045 4471 8149 3035 -291 -1188 -565 -55 1627 5116 2828 1011 -37649 6812 4716 4963 3967 3486 385 614 -558 2549 -1238 -563 385 1733 3461 3221 -410 249 4363 59 -29 1028 -219 -1590 -115 -2489 -1215 -1114 565 -906 1124 258 1392 854 619 898 2121 1566 769 1635 -93 554 253 808 1613 919 -367 365 -957 670 -59 1398 1037 -491 206 58 -1129 33 -761 -231 766 59 -597 -578 -421 -1259 -863 -1550 -789 -1216 -546 -619 -306 -275 -377 -65 825 985 648 52 640 56 -505 86 -123 147 847 272 -695 -668 -939 -160 466 100 -421 266 89 -327 110 792 1045 591 128 -855 -246 565 302 212 -891 -2 932 446 -196 667 628 700 384 626 -190 473 246 -367 -609 -387 -440 -331 -548 508 220 3255 -223 1501 1999 1291 2421 1011 -104 -427 -201 -20 646 2155 1299 487 -24197 3275 2348 2500 2019 1777 203 332 -310 1393 -678 -294 192 855 1743 1703 -228 136 2243 31 -17 655 -156 -1226 -92 -2059 -1009 -924 464 -743 894 202 1067 660 493 739 1783 1350 674 1444 -83 490 223 714 1450 867 -362 366 -952 627 -53 1231 957 -485 212 61 -1193 34 -751 -213 664 50 -522 -538 -416 -1316 -930 -1732 -910 -1461 -675 -777 -382 -337 -441 -72 862 1008 682 58 749 69 -642 108 -150 171 963 317 -845 -841 -1214 -211 627 138 -599 377 123 -437 140 967 1267 734 166 -1152 -337 771 406 279 -1148 -2 1122 536 -242 848 818 924 511 849 -266 679 359 -545 -910 -574 -643 -474 -778 SS 20230602T174327.5Z 8553.738513 425 1 48.79 2 21.33 213.53 146.34 63.28 0.00 1 0.00 1 0 17 3.318e-02 1.950e-02 2.394e-03 1.610e-03 1.818244e-01 8.625438e-04 2.134655e-03 -6.000000e+00 2.000760e-02 232.17 -2.00 3.51 -2.00 314.96 0.00e+00 1.511728e-03 7.395107e-05 1.098430e-04 -6.000000e+00 8.809319e-04 285.46 -2.00 20.00 -2.00 314.33 0.00e+00 1.073 0.000 302.00 328.00 3 5.5503e+00 2.2284e-03 1.4386e-02 -6.0000e+00 5.0152e-02 5.3310e-02 2.4626e-03 9.5457e-03 -6.0000e+00 5.4130e-02 -1.8945e-02 1.4033e-03 4.5306e-03 -6.0000e+00 3.2215e-02 5.5437e-03 6.0847e-04 1.6794e-03 -6.0000e+00 1.3458e-02 5.6747e-04 -6.3939e-04 4.9174e-05 1.9305e-05 -6.0000e+00 9.9119e-04 1.9785e-03 0.0000e+00 12 9 8 11 8 0 -236.77 22.67 0.30 0.00198 -0.00283 13 2 1 5 0 3752.660 26.00 19.97 22.67 39.46 36.2 1100.00 716 -947 9167 -1185 3317 5911 2685 9129 1120 562 -1067 -952 141 1358 5211 2141 662 -32480 5507 4455 4370 3374 3053 53 698 -437 2151 -1280 -341 732 1359 3310 1951 -425 -37 3675 114 -137 995 436 -2104 -482 -2249 -1509 -1145 191 -1433 904 -34 1362 474 192 608 2364 1509 823 1535 518 948 17 716 1842 1110 -74 24 -1029 756 -58 1294 916 -243 28 177 -1030 332 -500 -528 733 449 -562 -960 -216 -1051 -1219 -1445 -731 -1201 -355 -635 -270 -366 -228 118 657 433 824 402 633 -99 -450 40 -294 66 1135 203 -738 -702 -854 -243 539 276 -410 81 14 -209 333 489 826 737 -220 -771 -140 419 605 201 -561 114 744 228 -21 590 365 519 222 617 33 204 293 -334 -531 -256 -483 -398 -384 228 -327 2997 -407 1025 1672 777 2658 376 198 -381 -339 52 536 2180 981 318 -20006 2647 2207 2193 1712 1551 28 375 -243 1178 -700 -177 364 669 1660 1035 -235 -20 1892 61 -79 632 309 -1625 -384 -1854 -1254 -948 157 -1177 719 -26 1043 367 153 500 1978 1299 721 1352 460 838 15 632 1656 1044 -73 24 -1023 706 -52 1139 844 -240 29 185 -1087 340 -493 -489 634 380 -491 -894 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