Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c68aab4d59703015fa09027b91dd035",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.92,
"b": 50.51,
"c": 119.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12723],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.570,2.650],
"number_observations_unique": 8565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.650],
"number_observations": 11885,
"number_observations_unique": 1098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.822
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [46.530,8.790],
"number_observations": 2518,
"number_observations_unique": 287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}