Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c18ea1fad075c1836bd3a2fd83631638",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.17,
"b": 66.68,
"c": 75.03,
"alpha": 90.00,
"beta": 96.54,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.800],
"number_observations": 273168,
"number_observations_unique": 27011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 33.240
},
{
"type": "Completeness",
"value": 98.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 11795,
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 6.730
},
{
"type": "Completeness",
"value": 92.500
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations": 12013,
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 93.500
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 12274,
"number_observations_unique": 1825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 10.250
},
{
"type": "Completeness",
"value": 95.600
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 12245,
"number_observations_unique": 1836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 12.320
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [2.080,2.010],
"number_observations": 12129,
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 13.960
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.150,2.080],
"number_observations": 14050,
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 18.340
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.230,2.150],
"number_observations": 14763,
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations": 15792,
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 25.740
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.430,2.320],
"number_observations": 15578,
"number_observations_unique": 1542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 26.440
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations": 16166,
"number_observations_unique": 1498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 31.530
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations": 16689,
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 35.320
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations": 18102,
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 42.490
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.040,2.850],
"number_observations": 18998,
"number_observations_unique": 1291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 49.700
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.290,3.040],
"number_observations": 17200,
"number_observations_unique": 1173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 60.610
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.600,3.290],
"number_observations": 15517,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 69.590
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.020,3.600],
"number_observations": 14213,
"number_observations_unique": 1000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 79.880
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.650,4.020],
"number_observations": 12125,
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 88.690
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.690,4.650],
"number_observations": 10751,
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 84.110
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.050,5.690],
"number_observations": 8435,
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 74.590
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50,8.050],
"number_observations": 4333,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 91.650
},
{
"type": "Completeness",
"value": 98.500
}
]
}
]
}