Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8697b743ccab11044043402e3a8b6f67",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.632,
"b": 60.563,
"c": 84.482,
"alpha": 87.81,
"beta": 88.43,
"gamma": 63.01
},
"wavelengths": [0.91730],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.340,2.650],
"number_observations_unique": 27766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.650],
"number_observations_unique": 3658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.945
},
{
"type": "R(pim)",
"value": 0.625
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [29.340,8.790],
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}