Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7639c7b73e9ee0e870aba0286db825d4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.791,
"b": 35.965,
"c": 59.937,
"alpha": 90.00,
"beta": 115.63,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.040,1.600],
"number_observations": 97684,
"number_observations_unique": 26388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.600],
"number_observations": 3523,
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.678
}
]
},
{
"resolution_limits": [54.040,8.600],
"number_observations": 979,
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}