Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ec15f4c8d53eb92e96ba879288e34fb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.932,
"b": 86.144,
"c": 126.967,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.270,1.760],
"number_observations": 334909,
"number_observations_unique": 50936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.760],
"number_observations": 23788,
"number_observations_unique": 3670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.892
},
{
"type": "R(meas)",
"value": 0.970
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [29.270,7.860],
"number_observations": 4085,
"number_observations_unique": 655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 74.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}