Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd29c927ad28b469b670855e0d929c5c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.755,
"b": 103.177,
"c": 112.846,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.920,2.100],
"number_observations": 304961,
"number_observations_unique": 53790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 24852,
"number_observations_unique": 4370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.572
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [46.920,8.910],
"number_observations": 3983,
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}