Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8054fe19a3056fb9fb4f60d02ce75d40",
"space_group_name": "P 1",
"unit_cell": {
"a": 54.930,
"b": 59.171,
"c": 86.020,
"alpha": 101.94,
"beta": 105.87,
"gamma": 104.69
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.011,2.27],
"number_observations_unique": 38348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 86.2
},
{
"type": "Redundancy",
"value": 1.5
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
"refln_shells": [
{
"resolution_limits": [79.01,9.08],
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 1.6
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.34,2.27],
"number_observations_unique": 3471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 85.0
},
{
"type": "Redundancy",
"value": 1.5
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
}
]
}