Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01e4fb01846f2c04c2dbc9854a0c31b4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 116.35,
"b": 132.61,
"c": 102.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.4600,3.310],
"number_observations_unique": 12048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [3.580,3.310],
"number_observations": 9572,
"number_observations_unique": 2457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [38.340,8.760],
"number_observations": 2364,
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}