Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "28a22385c31ca489756bf6d65118dd42",
"space_group_name": "P 2 2 21",
"unit_cell": {
"a": 76.958,
"b": 87.404,
"c": 106.128,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.360,1.810],
"number_observations_unique": 66020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 45791,
"number_observations_unique": 3704,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.390
},
{
"type": "R(meas)",
"value": 1.449
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [45.360,9.040],
"number_observations": 6947,
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 50.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}