Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f5584e14dbce9cee7338cecebfbd4c1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.048,
"b": 101.796,
"c": 87.349,
"alpha": 90.00,
"beta": 102.37,
"gamma": 90.00
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.350,2.590],
"number_observations": 141225,
"number_observations_unique": 37527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.590],
"number_observations": 16263,
"number_observations_unique": 4321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.814
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [65.350,8.970],
"number_observations": 3631,
"number_observations_unique": 954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}