Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22fbfd6258c5ba9247185e3b5e1a7562",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 102.309,
"b": 102.309,
"c": 169.758,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.500],
"number_observations_unique": 18831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 1847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations_unique": 1828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.960,2.810],
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 1850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 1860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 1877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [4.260,3.730],
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [5.350,4.260],
"number_observations_unique": 1924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [20.000,5.350],
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 9.700
}
]
}
]
}