Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ff21de2b5fd028eb18662110162eeb8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.872,
"b": 63.261,
"c": 74.060,
"alpha": 90.00,
"beta": 126.44,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.080,1.750],
"number_observations": 179995,
"number_observations_unique": 43247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.750],
"number_observations": 8714,
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(meas)",
"value": 0.825
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [48.080,9.100],
"number_observations": 1223,
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
}
]
}