Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3970ef1bfae456df54ee707eb2f34c54",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 47.435,
"b": 47.435,
"c": 127.515,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.76,1.55],
"number_observations_unique": 10901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 20.7
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 23.7
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.59,1.55],
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.095
},
{
"type": "R(meas)",
"value": 3.194
},
{
"type": "R(pim)",
"value": 0.760
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 87.6
},
{
"type": "Redundancy",
"value": 16.6
},
{
"type": "CC(1/2)",
"value": 0.488
}
]
},
{
"resolution_limits": [63.74,6.93],
"number_observations_unique": 163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 63.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 21.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}