Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15abb021945910dcadeef13dda0b3e6a",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.200,
"b": 70.258,
"c": 85.676,
"alpha": 102.75,
"beta": 96.19,
"gamma": 112.40
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.700,2.560],
"number_observations": 127371,
"number_observations_unique": 38055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [2.680,2.560],
"number_observations": 15042,
"number_observations_unique": 4538,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.200
},
{
"type": "R(meas)",
"value": 1.481
},
{
"type": "R(pim)",
"value": 0.849
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
},
{
"resolution_limits": [81.700,8.880],
"number_observations": 3354,
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}