Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6bb85cbefb6f77ed3bf906d22e7e8637",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.759,
"b": 64.263,
"c": 74.524,
"alpha": 90.00,
"beta": 125.81,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.750,2.120],
"number_observations": 105443,
"number_observations_unique": 25464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.120],
"number_observations": 8368,
"number_observations_unique": 2041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [47.750,9.010],
"number_observations": 1321,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}