Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f355f9ccc45b1d6ca2467d588a89274",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.030,
"b": 121.912,
"c": 164.655,
"alpha": 90.0,
"beta": 90.1,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.574,2.100],
"number_observations_unique": 119490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 26828,
"number_observations_unique": 5920,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.501
},
{
"type": "R(meas)",
"value": 6.137
},
{
"type": "R(pim)",
"value": 2.676
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
},
{
"resolution_limits": [39.570,11.500],
"number_observations": 3665,
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}