Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0dc5f17a85629b4dda5aa88ff71372fd",
"space_group_name": "P 3",
"unit_cell": {
"a": 232.91,
"b": 232.91,
"c": 56.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.24,2.8],
"number_observations_unique": 84142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.990,2.8],
"number_observations": 49844,
"number_observations_unique": 11813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.857
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.180,2.990],
"number_observations": 48189,
"number_observations_unique": 11215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.623
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.390,3.180],
"number_observations": 45462,
"number_observations_unique": 10462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.670,3.390],
"number_observations": 42662,
"number_observations_unique": 9821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.020,3.670],
"number_observations": 39596,
"number_observations_unique": 9067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [4.490,4.020],
"number_observations": 36645,
"number_observations_unique": 8236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [5.190,4.490],
"number_observations": 32694,
"number_observations_unique": 7298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [6.350,5.190],
"number_observations": 27843,
"number_observations_unique": 6114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [8.980,6.350],
"number_observations": 21537,
"number_observations_unique": 4697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [76.296,8.980],
"number_observations": 11712,
"number_observations_unique": 2583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
}
]
}