Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5aa7d5589eda575c85b595ad39c1565f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.071,
"b": 64.287,
"c": 74.304,
"alpha": 90.00,
"beta": 125.93,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.400,2.400],
"number_observations": 70688,
"number_observations_unique": 17021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 6751,
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [47.400,8.990],
"number_observations": 1319,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}