Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0328fcb8d8c86d5b471b4633a4b1ca2f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.504,
"b": 48.021,
"c": 70.542,
"alpha": 90.0,
"beta": 90.8,
"gamma": 90.0
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.690,1.370],
"number_observations": 380719,
"number_observations_unique": 62314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.370],
"number_observations_unique": 2794,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.906
},
{
"type": "R(meas)",
"value": 2.233
},
{
"type": "R(pim)",
"value": 1.135
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.311
}
]
},
{
"resolution_limits": [39.690,7.500],
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}