Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e808f20006bb1303aa2084ca8bea5405",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.44,
"b": 79.05,
"c": 89.10,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.100,1.400],
"number_observations": 538738,
"number_observations_unique": 87448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations": 29275,
"number_observations_unique": 6383,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.329
},
{
"type": "R(meas)",
"value": 1.505
},
{
"type": "R(pim)",
"value": 0.699
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.485
}
]
},
{
"resolution_limits": [89.100,6.260],
"number_observations": 6662,
"number_observations_unique": 1122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}