File name: Pandora64s1_NewHavenCT_20240705_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240706T050620.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240705_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20240705 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240705T145117.4Z 8952.618952 250 1 7.03 2 32.11 115.72 26.30 112.14 0.00 1 0.00 1 0 17 1.018e-02 7.770e-03 1.580e-03 1.145e-03 1.636374e-01 6.348063e-04 1.999715e-03 -6.000000e+00 6.281315e-03 232.95 -2.00 3.52 -2.00 314.66 0.00e+00 3.688180e-04 5.105582e-05 1.545177e-05 -6.000000e+00 2.782909e-04 288.46 -2.00 20.00 -2.00 314.01 0.00e+00 1.180 0.000 302.00 328.00 3 3.3368e+00 1.6369e-03 1.4720e-02 -6.0000e+00 1.5769e-02 5.1417e-03 1.7989e-03 8.6416e-03 -6.0000e+00 1.6960e-02 1.0872e-03 1.0306e-03 4.1789e-03 -6.0000e+00 1.0094e-02 -3.5211e-03 4.4672e-04 1.1633e-03 -6.0000e+00 4.2752e-03 4.9635e-03 -2.3020e-04 3.5076e-05 1.7020e-05 -6.0000e+00 3.0315e-04 -1.0501e-02 7.1277e-06 12 9 1 12 1 1 97.03 21.82 0.20 -0.01050 -0.01223 22 38 1 5 0 305.220 26.21 20.01 21.82 34.49 40.0 1078.03 1163 -687 675 -2203 -4524 -1045 -85 1122 1749 721 -2511 -1094 466 -56 1002 376 -1019 464 231 1668 1246 -125 964 692 420 1095 928 -1137 -516 317 1826 124 2200 102 -3965 -1923 -1216 -1109 69 -205 -1315 -1314 -597 -1128 -522 -213 -747 -162 -720 -310 852 1159 451 1329 212 648 1077 622 -11 425 455 1433 985 1765 530 -1315 -162 -1067 595 1576 305 361 -416 518 259 -409 -318 -1439 -511 -60 -1086 -647 -1856 -1883 -435 -529 98 167 633 226 288 559 -722 312 1000 569 -206 1062 608 -391 -406 -1126 -1485 55 399 -1339 -250 -757 -413 160 678 382 44 69 32 -40 699 -265 278 281 -118 -220 424 61 782 1168 -451 655 996 364 679 -489 -728 -240 254 -36 -611 262 137 -356 -42 -705 432 -268 258 -780 -1485 -357 -28 407 680 289 -1006 -451 194 -26 503 187 -520 241 123 900 677 -68 536 401 251 663 546 -632 -268 174 957 68 1265 59 -2216 -1093 -763 -757 51 -162 -1058 -1090 -503 -950 -435 -175 -627 -131 -568 -245 701 998 385 1173 191 592 989 568 -10 390 412 1376 955 1749 532 -1222 -148 -971 550 1603 317 386 -441 523 253 -383 -274 -1274 -453 -56 -1116 -685 -1989 -2128 -500 -645 119 206 771 272 334 619 -745 317 1071 636 -241 1278 750 -489 -479 -1312 -1709 64 495 -1680 -326 -989 -562 217 940 520 59 89 39 -48 844 -324 365 372 -158 -292 569 78 988 1400 -550 774 1239 456 878 -648 -948 -324 349 -51 -897 389 204 -516 -60 -977 SS 20240705T145605.6Z 8952.622287 253 1 48.16 2 31.30 117.16 25.49 113.61 0.00 1 0.00 1 0 17 1.004e-02 7.658e-03 5.436e-04 3.796e-04 1.626997e-01 2.096195e-04 1.980464e-03 -6.000000e+00 6.194878e-03 232.95 -2.00 3.52 -2.00 314.87 0.00e+00 2.623228e-04 1.754780e-05 2.946416e-05 -6.000000e+00 2.744226e-04 288.46 -2.00 20.00 -2.00 314.20 0.00e+00 1.170 0.000 302.00 328.00 3 3.0497e+00 5.4179e-04 1.4601e-02 -6.0000e+00 1.5552e-02 3.2434e-03 5.9690e-04 8.5699e-03 -6.0000e+00 1.6725e-02 5.4673e-04 3.4098e-04 4.1437e-03 -6.0000e+00 9.9541e-03 -3.8604e-03 1.4785e-04 1.1375e-03 -6.0000e+00 4.2172e-03 6.7047e-03 4.2645e-06 1.1660e-05 1.6514e-05 -6.0000e+00 2.9882e-04 -1.0803e-02 6.3388e-05 11 8 0 10 0 0 99.99 21.82 0.19 -0.01080 -0.01077 359 86 1 5 0 134.130 26.21 19.98 21.82 34.58 40.1 1078.62 1154 -835 494 -2564 -4031 -1021 156 1221 1677 578 -2585 -1348 234 -61 892 629 -808 802 270 1517 1166 -298 765 776 419 1000 593 -732 -481 451 1748 168 2069 323 -4059 -1864 -1496 -1010 19 -58 -1174 -1263 -575 -1074 -670 -117 -858 -227 -725 -304 1122 603 590 1316 145 680 1014 625 230 508 592 1245 984 1806 618 -1258 -20 -1171 721 1647 214 296 -237 482 273 -477 -377 -1643 -462 -136 -1098 -776 -1833 -1945 -450 -457 40 28 733 401 328 521 -470 145 1049 439 -114 880 560 -544 -334 -1211 -1431 92 399 -1428 -280 -709 -398 181 599 299 193 183 -28 25 643 -205 462 383 -90 -276 488 -28 817 1105 -534 663 902 361 524 -405 -598 -337 410 -38 -601 267 34 -468 -2 -638 410 -288 181 -873 -1262 -308 50 423 625 222 -994 -534 93 -27 426 295 -389 392 135 774 599 -154 403 425 237 573 331 -383 -254 234 932 87 1123 175 -2141 -998 -887 -646 13 -45 -928 -1030 -477 -890 -550 -95 -714 -181 -566 -238 910 486 494 1141 129 610 915 561 205 457 554 1168 978 1834 604 -1207 -18 -1046 688 1632 216 307 -243 498 261 -438 -338 -1440 -401 -130 -1099 -798 -1996 -2235 -523 -563 49 35 895 487 368 561 -496 151 1150 499 -135 1063 693 -687 -397 -1434 -1673 107 499 -1798 -367 -922 -540 256 863 423 258 237 -35 30 784 -264 605 505 -121 -366 656 -36 1040 1339 -629 791 1133 454 681 -538 -814 -456 583 -57 -875 394 50 -675 -2 -918 SS 20240705T151044.7Z 8952.632462 259 1 22.43 2 28.91 121.92 23.08 118.59 0.00 1 0.00 1 0 17 1.127e-02 8.074e-03 1.785e-03 1.284e-03 1.604041e-01 7.107471e-04 1.951730e-03 -6.000000e+00 6.951192e-03 232.95 -2.00 3.52 -2.00 314.68 0.00e+00 3.722313e-04 5.769172e-05 2.063553e-05 -6.000000e+00 3.079121e-04 288.46 -2.00 20.00 -2.00 314.04 0.00e+00 1.142 0.000 302.00 328.00 3 4.7052e+00 1.8333e-03 1.4306e-02 -6.0000e+00 1.7450e-02 2.4231e-02 2.0147e-03 8.4575e-03 -6.0000e+00 1.8767e-02 -5.5202e-04 1.1532e-03 4.0865e-03 -6.0000e+00 1.1169e-02 -3.1206e-03 5.0030e-04 1.1319e-03 -6.0000e+00 4.7322e-03 1.3120e-03 4.3088e-05 3.9558e-05 1.6514e-05 -6.0000e+00 3.3527e-04 -1.0928e-02 7.3812e-05 12 9 1 12 1 1 99.96 21.82 0.16 -0.01093 -0.01060 21 11 1 5 0 1019.080 26.21 20.02 21.82 33.99 39.6 1074.17 878 -714 319 -2103 -6882 -603 450 1491 1598 1373 -2710 -1106 676 89 921 718 -588 952 460 1869 1310 -19 1248 855 348 944 185 -943 -281 137 1826 144 1920 357 -3953 -2096 -1118 -1082 -17 -163 -1314 -1123 -690 -1377 -924 -123 -770 -87 -820 -668 967 689 837 1271 505 713 926 626 249 500 489 1196 947 1791 814 -1321 -210 -837 423 1629 368 302 -189 621 316 -595 -284 -1915 -520 -32 -1116 -889 -1766 -2026 -429 -389 109 43 772 452 249 775 -649 -326 1011 426 -7 1029 415 -596 -271 -1427 -1304 104 359 -1408 -241 -558 -322 311 699 426 41 187 -139 17 811 -451 503 360 -182 -289 436 47 804 1159 -774 583 918 363 417 -588 -633 -338 367 -155 -455 358 186 -375 -139 -530 322 -275 120 -732 -2274 -200 146 527 609 534 -1063 -445 294 40 452 372 -311 512 238 982 694 -10 674 482 203 556 107 -507 -150 72 986 82 1067 198 -2268 -1147 -674 -711 -12 -132 -1080 -950 -594 -1187 -789 -102 -624 -71 -658 -538 806 573 721 1135 460 657 817 577 228 462 447 1159 925 1786 819 -1234 -193 -762 393 1658 382 323 -200 626 310 -558 -243 -1700 -459 -29 -1142 -938 -1881 -2278 -490 -470 137 53 973 540 287 850 -663 -330 1070 471 -8 1275 528 -736 -315 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