Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ed88290068fcfc281b87cc829d5b7b6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.01,
"b": 27.06,
"c": 55.65,
"alpha": 90.00,
"beta": 100.27,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.350,1.420],
"number_observations": 69161,
"number_observations_unique": 22801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.420],
"number_observations": 3577,
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.943
},
{
"type": "R(meas)",
"value": 1.216
},
{
"type": "R(pim)",
"value": 0.758
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [40.350,6.350],
"number_observations": 818,
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 33.900
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}