Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e6da45304ed51c1ebff605d5cc4ca5e",
"space_group_name": "P 1",
"unit_cell": {
"a": 62.230,
"b": 62.259,
"c": 79.818,
"alpha": 74.58,
"beta": 85.47,
"gamma": 65.03
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.370,2.180],
"number_observations": 176570,
"number_observations_unique": 48209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.180],
"number_observations": 19299,
"number_observations_unique": 5469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.647
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 67.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [56.370,6.880],
"number_observations": 6122,
"number_observations_unique": 1721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}