File name: Pandora55s1_QueensNY_20220512_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T121314.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220512_L1_smca1c19d20211111p1-8.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: 20220512 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20220512T142658.4Z 8167.602064 318 1 42.94 2 38.27 115.16 137.49 11.22 0.00 1 0.00 1 0 25 8.693e-03 6.600e-03 9.748e-04 6.427e-04 1.917387e-01 3.426978e-04 2.320404e-03 -6.000000e+00 5.208299e-03 230.86 -2.00 3.51 -2.00 315.10 0.00e+00 5.446422e-05 2.996047e-05 3.910416e-05 -6.000000e+00 2.287256e-04 283.33 -2.00 20.00 -2.00 314.48 0.00e+00 1.273 0.000 302.00 328.00 3 3.2698e+00 8.8457e-04 1.6232e-02 -6.0000e+00 1.3022e-02 3.0884e-02 9.8032e-04 9.9172e-03 -6.0000e+00 1.4082e-02 -5.2241e-04 5.5916e-04 4.8399e-03 -6.0000e+00 8.3785e-03 -2.1216e-03 2.4238e-04 1.3371e-03 -6.0000e+00 3.4951e-03 4.5353e-03 -5.1791e-05 1.9661e-05 1.9445e-05 -6.0000e+00 2.5976e-04 -5.3612e-03 1.6841e-04 12 9 1 12 1 1 99.99 22.78 0.20 -0.00536 -0.00575 119 26 1 5 0 356.380 25.90 20.00 22.78 25.81 32.1 1100.00 -817 -2006 -2337 -3870 -1203 277 999 1813 1276 -468 -52 694 508 623 688 -684 -612 361 813 674 66 979 1258 725 747 -103 -391 -755 173 1068 1197 1867 1277 -1448 -560 721 540 454 667 -606 -1522 -1018 -1435 -1178 -868 -714 -1180 -840 -670 588 692 633 733 785 688 714 969 336 844 859 1505 1195 1142 252 -813 -359 -191 495 1227 743 -102 -385 -605 -544 -631 -171 251 750 1283 128 -63 -627 -1506 -1154 -1104 -968 -753 -453 -482 -646 -84 128 358 1218 1241 1133 768 760 -396 -499 -304 -507 231 929 2 -616 -314 -629 -127 -27 -104 -416 -317 -167 -46 549 769 860 523 -61 -569 -273 -91 -154 295 291 571 1357 812 334 426 -14 193 169 224 -334 -152 123 -441 -411 -253 -248 -238 -86 -246 -654 -777 -1257 -358 77 279 541 413 -160 -18 237 182 241 288 -307 -285 169 389 329 33 486 625 370 392 -56 -213 -402 87 519 582 934 671 -791 -300 373 284 260 424 -428 -1157 -803 -1156 -957 -703 -577 -945 -661 -516 446 528 498 597 658 589 620 851 297 740 749 1315 1073 1068 245 -809 -350 -177 439 1081 688 -101 -397 -634 -569 -643 -167 229 649 1087 113 -59 -624 -1581 -1248 -1231 -1121 -903 -558 -603 -805 -102 148 393 1269 1277 1200 858 897 -492 -635 -383 -616 269 1061 2 -754 -396 -815 -168 -37 -145 -592 -451 -232 -61 698 945 1055 658 -80 -772 -376 -125 -208 390 374 712 1645 987 417 549 -18 258 229 308 -475 -221 182 -662 -619 -378 -365 -344 -123 SS 20220512T143152.3Z 8167.605466 322 1 47.38 2 37.44 116.48 137.33 12.94 0.00 1 0.00 1 0 25 8.610e-03 6.638e-03 5.333e-04 3.585e-04 1.891556e-01 1.913781e-04 2.294219e-03 -6.000000e+00 5.158885e-03 230.86 -2.00 3.51 -2.00 315.01 0.00e+00 4.566352e-05 1.648679e-05 3.281271e-05 -6.000000e+00 2.265479e-04 283.33 -2.00 20.00 -2.00 314.40 0.00e+00 1.258 0.000 302.00 328.00 3 2.2579e+00 4.9352e-04 1.6041e-02 -6.0000e+00 1.2898e-02 2.2729e-02 5.4627e-04 9.7958e-03 -6.0000e+00 1.3948e-02 -7.2058e-04 3.1203e-04 4.7803e-03 -6.0000e+00 8.2989e-03 -1.7930e-03 1.3506e-04 1.3187e-03 -6.0000e+00 3.4622e-03 1.2761e-02 -5.0325e-05 1.0987e-05 1.9601e-05 -6.0000e+00 2.5728e-04 -6.2020e-03 1.4897e-04 11 8 0 10 0 0 99.99 22.81 0.20 -0.00620 -0.00658 363 69 1 5 0 130.490 25.90 19.99 22.81 26.13 32.3 1100.00 -872 -1807 -2855 -3332 -1397 161 1106 1613 1002 -622 -76 1035 935 1051 412 -408 -513 407 480 583 193 1019 1160 897 517 99 -789 -761 289 1384 1341 1732 1365 -979 -619 443 267 606 520 -689 -1330 -1058 -1362 -1198 -992 -798 -1140 -850 -656 440 653 620 764 638 580 583 802 371 642 882 1457 1224 1078 280 -809 -199 -133 523 1325 841 67 -362 -630 -476 -700 -157 172 706 1395 236 76 -782 -1492 -1141 -1049 -1011 -693 -473 -481 -644 -199 215 330 1211 1376 1202 833 662 -412 -457 -380 -413 135 852 28 -637 -314 -743 -131 -147 -108 -347 -283 -167 -38 557 779 864 640 -79 -550 -298 -198 -198 345 291 650 1429 898 373 384 -80 214 109 202 -347 -166 93 -443 -387 -222 -234 -234 -73 -282 -599 -977 -1093 -438 46 317 505 349 -217 -26 357 342 426 176 -191 -237 191 232 288 98 514 586 468 284 53 -431 -422 148 667 684 871 732 -555 -341 232 144 346 332 -493 -1016 -859 -1093 -972 -803 -641 -904 -683 -508 331 495 494 614 537 505 518 692 324 578 783 1297 1090 1029 274 -822 -193 -124 472 1181 779 66 -370 -665 -497 -701 -151 155 603 1198 206 70 -775 -1551 -1251 -1166 -1154 -841 -581 -604 -803 -236 254 367 1279 1418 1250 912 769 -505 -584 -476 -503 158 963 33 -783 -392 -974 -172 -202 -151 -486 -395 -231 -50 696 952 1048 811 -104 -745 -415 -273 -267 458 368 806 1744 1098 462 486 -106 288 145 278 -487 -244 136 -666 -585 -330 -348 -338 -104 SS 20220512T143653.6Z 8167.608954 325 1 5.17 2 36.59 117.87 137.13 14.68 0.00 1 0.00 1 0 25 8.894e-03 6.965e-03 2.136e-03 1.503e-03 1.866728e-01 8.038256e-04 2.268460e-03 -6.000000e+00 5.327655e-03 230.86 -2.00 3.51 -2.00 314.80 0.00e+00 9.345610e-05 6.634571e-05 3.345899e-05 -6.000000e+00 2.340023e-04 283.33 -2.00 20.00 -2.00 314.21 0.00e+00 1.244 0.000 302.00 328.00 3 2.8441e+00 2.0688e-03 1.5850e-02 -6.0000e+00 1.3320e-02 2.6201e-02 2.2895e-03 9.6649e-03 -6.0000e+00 1.4405e-02 -6.0931e-04 1.3071e-03 4.7194e-03 -6.0000e+00 8.5708e-03 -1.6483e-03 5.6131e-04 1.3056e-03 -6.0000e+00 3.5750e-03 7.2232e-03 -2.4225e-04 4.5848e-05 1.9399e-05 -6.0000e+00 2.6577e-04 -5.6897e-03 1.1869e-04 12 9 1 12 1 1 97.09 22.80 0.20 -0.00569 -0.00751 12 24 1 5 0 383.960 25.90 20.00 22.80 26.55 32.3 1100.00 -688 -1920 -2710 -3254 -1888 650 557 1422 842 -998 -261 1193 800 627 1080 -675 48 210 449 485 432 863 1465 1523 843 -82 -845 -582 292 1047 1188 1922 1015 -1118 -963 783 863 476 668 -780 -1190 -1384 -1155 -1057 -1111 -1054 -1126 -1146 -651 356 311 917 1206 1039 615 658 875 70 745 1139 1042 1195 1161 253 -894 -170 -37 266 1372 654 -52 -107 -782 -752 -578 -325 121 1173 1163 140 78 -456 -1372 -1278 -1065 -882 -878 -579 -525 -551 -128 75 556 1104 1559 1140 670 715 -462 -468 -490 -522 153 840 -1 -607 -310 -747 -318 -75 -75 -463 -131 -127 -149 662 823 1068 553 -82 -576 -352 -158 15 221 541 806 1452 836 367 427 -26 175 -75 123 -388 -190 82 -407 -486 -108 -240 -276 -125 -234 -700 -1006 -1174 -634 204 176 477 306 -380 -99 450 315 265 491 -328 24 106 230 254 229 458 777 823 470 -47 -488 -327 157 544 616 1023 565 -642 -547 428 480 285 442 -570 -928 -1122 -950 -878 -923 -875 -923 -924 -514 277 243 737 1000 884 535 579 779 62 663 1004 925 1086 1095 248 -895 -167 -35 239 1222 610 -51 -110 -823 -787 -592 -319 112 1026 997 124 73 -455 -1440 -1383 -1185 -1015 -1048 -709 -651 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