Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba7d1c99557c78ea5f8af19b27af9d54",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.45,
"b": 42.54,
"c": 155.04,
"alpha": 90.00,
"beta": 94.65,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.510,2.200],
"number_observations": 148871,
"number_observations_unique": 47970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 12648,
"number_observations_unique": 4064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.777
},
{
"type": "R(pim)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [51.510,9.070],
"number_observations": 2180,
"number_observations_unique": 742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}