Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c24178ca9777be81a7974afa3df1ea34",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.922,
"b": 70.395,
"c": 163.954,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.170,3.300],
"number_observations": 50331,
"number_observations_unique": 11297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.560,3.300],
"number_observations": 7169,
"number_observations_unique": 2007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.976
},
{
"type": "R(meas)",
"value": 1.122
},
{
"type": "R(pim)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 79.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.780
}
]
},
{
"resolution_limits": [47.170,8.730],
"number_observations": 3787,
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}