Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79254a0af9434b41c1667f5946ceb3da",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.053,
"b": 41.870,
"c": 79.825,
"alpha": 90.00,
"beta": 101.55,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.326,2.007],
"number_observations_unique": 19923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 94.0
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.007],
"number_observations": 7096,
"number_observations_unique": 2956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.50
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 6807,
"number_observations_unique": 2818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 3.10
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 6313,
"number_observations_unique": 2593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 3.70
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 5994,
"number_observations_unique": 2457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 4.40
},
{
"type": "Completeness",
"value": 95.1
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 5349,
"number_observations_unique": 2216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 5.20
},
{
"type": "Completeness",
"value": 94.3
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 4780,
"number_observations_unique": 1984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 5.40
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 4200,
"number_observations_unique": 1732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 7.00
},
{
"type": "Completeness",
"value": 91.6
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 3385,
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.30
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [6.320,4.470],
"number_observations": 2679,
"number_observations_unique": 1118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.10
},
{
"type": "Completeness",
"value": 90.3
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [47.836,6.320],
"number_observations": 1499,
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.70
},
{
"type": "Completeness",
"value": 84.9
},
{
"type": "Redundancy",
"value": 2.5
}
]
}
]
}