Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "794bf89fc1b179ef241d4145dda5ea67",
"space_group_name": "P 31",
"unit_cell": {
"a": 74.733,
"b": 74.733,
"c": 107.039,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations_unique": 87465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 4438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 4445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 4394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 4427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 4423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 4444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 4450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 4436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 4397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 4476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 4430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 4392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 4483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 4409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 4422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 4437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 4429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 4379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 4158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [50.000,4.340],
"number_observations_unique": 3596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 80.900
},
{
"type": "Redundancy",
"value": 8.100
}
]
}
]
}