Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c89678adca9b7aadf8fd5909280b574b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 73.665,
"b": 107.162,
"c": 68.305,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.380,1.600],
"number_observations": 468399,
"number_observations_unique": 36031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 15470,
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.110
},
{
"type": "R(meas)",
"value": 2.243
},
{
"type": "R(pim)",
"value": 0.746
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.568
}
]
},
{
"resolution_limits": [45.380,8.760],
"number_observations": 2907,
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 63.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}