Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c79cca4f834ba36d6660782ea140f96b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 131.704,
"b": 133.447,
"c": 90.942,
"alpha": 90.00,
"beta": 101.39,
"gamma": 90.00
},
"wavelengths": [0.96863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.4,2.490],
"number_observations": 243417,
"number_observations_unique": 53557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 11.040
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.51
}
]
},
"refln_shells": [
{
"resolution_limits": [2.580,2.490],
"number_observations": 24796,
"number_observations_unique": 5372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.998
},
{
"type": "R(meas)",
"value": 1.125
},
{
"type": "I/SigI",
"value": 1.740
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.61
}
]
},
{
"resolution_limits": [2.680,2.580],
"number_observations": 24316,
"number_observations_unique": 5193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.800,2.680],
"number_observations": 24163,
"number_observations_unique": 5217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.620
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.950,2.800],
"number_observations": 24498,
"number_observations_unique": 5476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "R(meas)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 4.360
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.140,2.950],
"number_observations": 24449,
"number_observations_unique": 5495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.380,3.140],
"number_observations": 25028,
"number_observations_unique": 5307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 10.150
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.720,3.380],
"number_observations": 24264,
"number_observations_unique": 5327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 13.730
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.260,3.720],
"number_observations": 23378,
"number_observations_unique": 5355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 18.280
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [5.360,4.260],
"number_observations": 24526,
"number_observations_unique": 5368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 23.270
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [46.4,5.360],
"number_observations": 23999,
"number_observations_unique": 5447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 26.360
},
{
"type": "Completeness",
"value": 99.200
}
]
}
]
}