Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f32b8e88d108b752ac4b98a69cec462",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.24,
"b": 78.89,
"c": 88.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91188],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.890,1.250],
"number_observations": 760253,
"number_observations_unique": 121362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.250],
"number_observations": 42920,
"number_observations_unique": 8820,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.426
},
{
"type": "R(meas)",
"value": 1.601
},
{
"type": "R(pim)",
"value": 0.715
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [78.890,5.590],
"number_observations": 9330,
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}