Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8561bec3eb2bc7235133d26feb71d7ea",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 96.228,
"b": 96.228,
"c": 96.228,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.110,2.000],
"number_observations": 72097,
"number_observations_unique": 20275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 4962,
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.243
},
{
"type": "R(meas)",
"value": 1.480
},
{
"type": "R(pim)",
"value": 0.793
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.372
}
]
},
{
"resolution_limits": [48.110,8.950],
"number_observations": 691,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 30.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}