Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "025ecff19ab315b6cdd43924b18f3fcc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 107.532,
"b": 69.361,
"c": 50.468,
"alpha": 90.00,
"beta": 98.96,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations_unique": 14111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.590,2.490],
"number_observations_unique": 1358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.700,2.590],
"number_observations_unique": 1433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.850,2.700],
"number_observations_unique": 1431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations_unique": 1424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.260,3.020],
"number_observations_unique": 1428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.580,3.260],
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.100,3.580],
"number_observations_unique": 1425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.170,4.100],
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [50.000,5.170],
"number_observations_unique": 1479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}