Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e55385bae19002e92678c5abc83bb1d5",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 205.343,
"b": 205.343,
"c": 68.313,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.330,2.900],
"number_observations_unique": 32843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.060,2.900],
"number_observations": 33231,
"number_observations_unique": 4730,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.224
},
{
"type": "R(meas)",
"value": 2.396
},
{
"type": "R(pim)",
"value": 0.881
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
},
{
"resolution_limits": [29.330,9.170],
"number_observations": 6819,
"number_observations_unique": 1113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}