Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b73171b78f8f23f762904c90eb45a2b",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.365,
"b": 94.365,
"c": 33.063,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91330],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.183,2.440],
"number_observations_unique": 6468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.440],
"number_observations": 12395,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.376
},
{
"type": "R(meas)",
"value": 1.418
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 17.100
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [47.180,8.810],
"number_observations": 2497,
"number_observations_unique": 159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 54.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 15.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}