Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e709620d8e2d0c86bee095145a22b4ce",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.924,
"b": 57.001,
"c": 114.954,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.880,1.500],
"number_observations": 355134,
"number_observations_unique": 55480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 25247,
"number_observations_unique": 4064,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.587
},
{
"type": "R(meas)",
"value": 1.734
},
{
"type": "R(pim)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.539
}
]
},
{
"resolution_limits": [51.880,6.710],
"number_observations": 4463,
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}