Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f34a0043c2c6c88b4c9c704afdd02ad",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.966,
"b": 49.917,
"c": 80.160,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91730],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.69,1.42],
"number_observations_unique": 26470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 15.1
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 11.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.50,1.42],
"number_observations_unique": 3748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.866
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [1.59,1.50],
"number_observations_unique": 3474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [1.70,1.59],
"number_observations_unique": 3400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 9.5
}
]
},
{
"resolution_limits": [1.84,1.70],
"number_observations_unique": 3166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 13.9
}
]
},
{
"resolution_limits": [2.02,1.84],
"number_observations_unique": 2963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 14.6
}
]
},
{
"resolution_limits": [2.25,2.02],
"number_observations_unique": 2684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 19.0
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 14.0
}
]
},
{
"resolution_limits": [2.60,2.25],
"number_observations_unique": 2395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 26.6
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 15.1
}
]
},
{
"resolution_limits": [3.19,2.60],
"number_observations_unique": 2061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 33.3
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 14.2
}
]
},
{
"resolution_limits": [4.51,3.19],
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 46.7
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 13.8
}
]
},
{
"resolution_limits": [19.69,4.51],
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 45.4
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 13.4
}
]
}
]
}