Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ed8e73b32b8bf16b65e9641f07eb6a7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.312,
"b": 56.480,
"c": 101.855,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,2.010],
"number_observations": 142571,
"number_observations_unique": 21868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 10025,
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "R(meas)",
"value": 1.063
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
},
{
"resolution_limits": [29.100,8.970],
"number_observations": 1706,
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 50.800
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}