Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4145f621ad71480e72a4fca808f37ce",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 76.875,
"b": 73.097,
"c": 84.128,
"alpha": 90.00,
"beta": 105.02,
"gamma": 90.00
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.250,1.450],
"number_observations": 265700,
"number_observations_unique": 78983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 13035,
"number_observations_unique": 3937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.863
},
{
"type": "R(meas)",
"value": 1.031
},
{
"type": "R(pim)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [81.250,7.940],
"number_observations": 1778,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}