Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd73daebeed1eb6a5335cf0306ed8f58",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.778,
"b": 97.172,
"c": 58.312,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.160,1.810],
"number_observations": 134536,
"number_observations_unique": 21387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.810],
"number_observations": 3309,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.908
},
{
"type": "R(meas)",
"value": 1.024
},
{
"type": "R(pim)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 63.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [29.160,9.030],
"number_observations": 1224,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}