Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7df54431aef69a33c92d8756e6f12215",
"space_group_name": "P 1",
"unit_cell": {
"a": 62.499,
"b": 82.173,
"c": 93.041,
"alpha": 113.69,
"beta": 90.65,
"gamma": 90.31
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.240,2.370],
"number_observations": 181699,
"number_observations_unique": 65955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.370],
"number_observations": 14441,
"number_observations_unique": 9249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 1.078
},
{
"type": "R(pim)",
"value": 0.762
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.457
}
]
},
{
"resolution_limits": [75.240,7.510],
"number_observations": 6510,
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}