Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c0876040676284bc0b92a0b5aa684c3",
"space_group_name": "P 1",
"unit_cell": {
"a": 129.18,
"b": 133.61,
"c": 134.26,
"alpha": 110.62,
"beta": 98.28,
"gamma": 101.20
},
"wavelengths": [0.97946,0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.61,3.7],
"number_observations_unique": 84628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.31
},
{
"type": "Completeness",
"value": 97.55
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.832,3.7],
"number_observations_unique": 7646,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.050
},
{
"type": "R(meas)",
"value": 3.283
},
{
"type": "R(pim)",
"value": 1.206
},
{
"type": "I/SigI",
"value": 0.74
},
{
"type": "Completeness",
"value": 89.28
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
},
{
"resolution_limits": [4.66,4.50],
"number_observations_unique": 4667,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.241
},
{
"type": "R(meas)",
"value": 3.320
},
{
"type": "R(pim)",
"value": 0.712
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 21.4
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
}
]
}