Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c76727385ab905bef71e83a781c92e2f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.019,
"b": 122.354,
"c": 164.820,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.410,2.170],
"number_observations": 370880,
"number_observations_unique": 107704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.170],
"number_observations": 18793,
"number_observations_unique": 5245,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.042
},
{
"type": "R(meas)",
"value": 2.386
},
{
"type": "R(pim)",
"value": 1.215
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.346
}
]
},
{
"resolution_limits": [82.410,11.890],
"number_observations": 2797,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
}
]
}