Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0b61f6ad64a85f0338cd19262e6c92e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 97.782,
"b": 172.897,
"c": 275.886,
"alpha": 90.0,
"beta": 95.2,
"gamma": 90.0
},
"wavelengths": [0.96861],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [146.334,2.85],
"number_observations_unique": 140978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 4
},
{
"type": "Completeness",
"value": 94.3
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [3.201,2.853],
"number_observations_unique": 7049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.684
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 67.3
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [146.334,8.918],
"number_observations_unique": 7047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}