Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "064cb677e9a76367237b30602d6abd1b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.396,
"b": 112.351,
"c": 62.622,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.420,1.400],
"number_observations_unique": 57442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 37354,
"number_observations_unique": 2817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "R(meas)",
"value": 0.693
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [34.420,7.670],
"number_observations": 4433,
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}