Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e79e2214951b0ce33827192e947a2d1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 99.003,
"b": 172.173,
"c": 80.585,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97928],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.580,2.490],
"number_observations": 177368,
"number_observations_unique": 24239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.490],
"number_observations": 26922,
"number_observations_unique": 3483,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.163
},
{
"type": "R(meas)",
"value": 1.246
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [80.580,7.870],
"number_observations": 5251,
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 34.600
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}