Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "016b03ab3ce58bc856edc76ffd9a5dc2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.802,
"b": 79.470,
"c": 152.466,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.260,2.010],
"number_observations_unique": 37046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.010],
"number_observations": 42350,
"number_observations_unique": 3325,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.316
},
{
"type": "R(meas)",
"value": 1.371
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 58.500
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [35.240,6.340],
"number_observations": 15343,
"number_observations_unique": 1402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}