Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9eb4e6b6fad50cae75a06112bdf41faa",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 136.46,
"b": 136.46,
"c": 183.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03322],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.070,2.500],
"number_observations": 285184,
"number_observations_unique": 54988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.500],
"number_observations": 12654,
"number_observations_unique": 4011,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.419
},
{
"type": "R(meas)",
"value": 7.688
},
{
"type": "R(pim)",
"value": 4.128
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.024
}
]
},
{
"resolution_limits": [37.070,11.180],
"number_observations": 8111,
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}