Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "feb6023371098dc285c08df2a8fe2544",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 130.628,
"b": 240.474,
"c": 135.614,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.130,2.800],
"number_observations": 236235,
"number_observations_unique": 52539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.890,2.800],
"number_observations": 21178,
"number_observations_unique": 4497,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.290
},
{
"type": "R(meas)",
"value": 1.448
},
{
"type": "R(pim)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [48.130,11.540],
"number_observations": 3128,
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}