Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f28d1e3140e97813dbe5be75f577b76a",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 43.836,
"b": 65.410,
"c": 84.671,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.41,1.551],
"number_observations_unique": 36008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.551],
"number_observations_unique": 5092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.552
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.92
}
]
},
{
"resolution_limits": [1.730,1.630],
"number_observations_unique": 4911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [1.850,1.730],
"number_observations_unique": 4619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.000,1.850],
"number_observations_unique": 4334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.190,2.000],
"number_observations_unique": 4011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.450,2.190],
"number_observations_unique": 3614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.830,2.450],
"number_observations_unique": 3222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.470,2.830],
"number_observations_unique": 2746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [4.900,3.470],
"number_observations_unique": 2181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [43.836,4.900],
"number_observations_unique": 1278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
}
]
}