Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aec99dc2878d21af9a5ebe769ae3cf83",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.220,
"b": 52.787,
"c": 44.460,
"alpha": 90.00,
"beta": 102.96,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.730,1.600],
"number_observations": 115065,
"number_observations_unique": 32814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 4255,
"number_observations_unique": 1522,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.239
},
{
"type": "R(meas)",
"value": 1.527
},
{
"type": "R(pim)",
"value": 0.870
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
},
{
"resolution_limits": [54.730,8.760],
"number_observations": 848,
"number_observations_unique": 221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}