Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92d86d8e024001903a2b791dd5da2d02",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.388,
"b": 65.836,
"c": 72.822,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.40000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.840,1.400],
"number_observations": 247697,
"number_observations_unique": 53810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 9727,
"number_observations_unique": 2576,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.457
},
{
"type": "R(meas)",
"value": 1.692
},
{
"type": "R(pim)",
"value": 0.841
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.395
}
]
},
{
"resolution_limits": [65.840,7.670],
"number_observations": 1626,
"number_observations_unique": 374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 71.300
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}