Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "495a8775fbe44b6e01e4d36cfa540caa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.332,
"b": 41.598,
"c": 111.147,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.210,1.050],
"number_observations": 296761,
"number_observations_unique": 61389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 819,
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 13.400
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [29.210,4.700],
"number_observations": 5383,
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}