Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "947f2804482256a6116a8e23a1690c87",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 84.722,
"b": 59.876,
"c": 89.658,
"alpha": 90.00,
"beta": 93.83,
"gamma": 90.00
},
"wavelengths": [0.96550],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.730,1.900],
"number_observations": 264436,
"number_observations_unique": 35306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 17103,
"number_observations_unique": 2257,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.109
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [44.730,9.110],
"number_observations": 2332,
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}