Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07a56d9d6913fc14ba990be1172108bc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 75.772,
"b": 125.286,
"c": 119.386,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.840,1.4990],
"number_observations_unique": 90979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 101625,
"number_observations_unique": 13149,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.072
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.771
}
]
},
{
"resolution_limits": [64.840,4.740],
"number_observations": 21964,
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}