Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ecd1e873effc1c23ed6a04790e48d87",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 125.493,
"b": 203.403,
"c": 207.251,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.73769],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.390,2.200],
"number_observations": 1490791,
"number_observations_unique": 257692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 22776,
"number_observations_unique": 9348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 71.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [49.390,12.050],
"number_observations": 10806,
"number_observations_unique": 1803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 41.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}