Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47fb216beea557bf71c57dfce618812b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.742,
"b": 85.685,
"c": 134.509,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [134.51,1.50],
"number_observations_unique": 105702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [134.51,8.22],
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 40.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 5178,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.037
},
{
"type": "R(meas)",
"value": 2.206
},
{
"type": "R(pim)",
"value": 0.842
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.516
}
]
}
]
}