Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "313032e5588fdfae81403927eb61bac0",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 129.216,
"b": 129.216,
"c": 240.789,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.12710],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.610,2.200],
"number_observations": 1283748,
"number_observations_unique": 61072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.200],
"number_observations": 58124,
"number_observations_unique": 4292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(meas)",
"value": 0.928
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [38.610,9.820],
"number_observations": 14896,
"number_observations_unique": 825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 55.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}