Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a706f64df03eb1af209fb62b33e52eb3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.831,
"b": 69.665,
"c": 79.239,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.620,1.800],
"number_observations": 152301,
"number_observations_unique": 28251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 6789,
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "R(meas)",
"value": 0.933
},
{
"type": "R(pim)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 1.50
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [14.620,9.000],
"number_observations": 986,
"number_observations_unique": 201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 51.300
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}