Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f66e02be1a877d25e685f1bb40432cf5",
"space_group_name": "P 1",
"unit_cell": {
"a": 40.177,
"b": 56.968,
"c": 62.340,
"alpha": 113.90,
"beta": 90.01,
"gamma": 91.49
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.160,1.600],
"number_observations": 221715,
"number_observations_unique": 63486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 11145,
"number_observations_unique": 3098,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.161
},
{
"type": "R(meas)",
"value": 1.366
},
{
"type": "R(pim)",
"value": 0.714
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.533
}
]
},
{
"resolution_limits": [40.160,8.760],
"number_observations": 1258,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}