Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e464f64de1906284511f8e36e9c8bb8",
"space_group_name": "P 1",
"unit_cell": {
"a": 62.810,
"b": 67.817,
"c": 94.614,
"alpha": 74.59,
"beta": 79.39,
"gamma": 66.39
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.71,2.100],
"number_observations_unique": 77001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 11973,
"number_observations_unique": 4517,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.410
},
{
"type": "R(meas)",
"value": 1.764
},
{
"type": "R(pim)",
"value": 1.044
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.562
}
]
},
{
"resolution_limits": [46.670,10.500],
"number_observations": 1689,
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}