Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3d867ed43cb0fc6c9f66561c7f222e57",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 90.20,
"b": 90.20,
"c": 289.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.105,1.513],
"number_observations_unique": 180007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 27.5
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 23.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [86.105,4.107],
"number_observations_unique": 9986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 68.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 22.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.539,1.513],
"number_observations_unique": 6788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.971
},
{
"type": "R(meas)",
"value": 1.007
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 74.0
},
{
"type": "Redundancy",
"value": 14.3
},
{
"type": "CC(1/2)",
"value": 0.666
}
]
}
]
}