Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b190fa2f2fbcdb15306c6afe26fdc9a",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 135.050,
"b": 135.050,
"c": 57.875,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.050],
"number_observations_unique": 19958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.050],
"number_observations_unique": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.210,2.120],
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.310,2.210],
"number_observations_unique": 1951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.430,2.310],
"number_observations_unique": 1958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.580,2.430],
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.780,2.580],
"number_observations_unique": 1981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.060,2.780],
"number_observations_unique": 2003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.510,3.060],
"number_observations_unique": 2002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.420,3.510],
"number_observations_unique": 2045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [50.000,4.420],
"number_observations_unique": 2160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
}
]
}