Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "369d9f4fea7132800d6240a603f51308",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.328,
"b": 112.518,
"c": 62.677,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.410,1.400],
"number_observations_unique": 57378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 5265,
"number_observations_unique": 2696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.396
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [34.410,7.670],
"number_observations": 669,
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.007
},
{
"type": "R(meas)",
"value": 0.009
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}