Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a846c292201b7ccee62b8e477d3e83ab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.383,
"b": 100.969,
"c": 66.681,
"alpha": 90.00,
"beta": 106.78,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.840,2.000],
"number_observations_unique": 46753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 22122,
"number_observations_unique": 3406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.946
},
{
"type": "R(meas)",
"value": 1.032
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.648
}
]
},
{
"resolution_limits": [63.840,8.940],
"number_observations": 3050,
"number_observations_unique": 539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
}
]
}