Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "81c7c2df647e119990b60ad9bfca944a",
"space_group_name": "P 1",
"unit_cell": {
"a": 63.654,
"b": 63.870,
"c": 105.095,
"alpha": 101.08,
"beta": 106.22,
"gamma": 103.03
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.690,2.850],
"number_observations_unique": 34198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.010
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.850],
"number_observations": 6893,
"number_observations_unique": 3403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.020
}
]
},
{
"resolution_limits": [3.070,2.950],
"number_observations": 6900,
"number_observations_unique": 3414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.010
}
]
},
{
"resolution_limits": [3.210,3.070],
"number_observations": 6955,
"number_observations_unique": 3443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.010
}
]
},
{
"resolution_limits": [3.380,3.210],
"number_observations": 6831,
"number_observations_unique": 3392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.590,3.380],
"number_observations": 7004,
"number_observations_unique": 3458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.020
}
]
},
{
"resolution_limits": [3.870,3.590],
"number_observations": 6908,
"number_observations_unique": 3400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.020
}
]
},
{
"resolution_limits": [4.260,3.870],
"number_observations": 7017,
"number_observations_unique": 3469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [4.870,4.260],
"number_observations": 6900,
"number_observations_unique": 3402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [6.140,4.870],
"number_observations": 6960,
"number_observations_unique": 3423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.010
}
]
},
{
"resolution_limits": [45.690,6.140],
"number_observations": 6922,
"number_observations_unique": 3394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.010
}
]
}
]
}