Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d6f74a1723cbde18c3fbe3e8aaf0ae1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.56,
"b": 52.81,
"c": 44.62,
"alpha": 90.0,
"beta": 103.2,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.570,1.870],
"number_observations": 79457,
"number_observations_unique": 21176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 6056,
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.439
},
{
"type": "R(meas)",
"value": 2.823
},
{
"type": "R(pim)",
"value": 1.405
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [47.570,8.360],
"number_observations": 952,
"number_observations_unique": 261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}