Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb907a5a22f1ae8af60aa949ea89ba40",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.76,
"b": 36.56,
"c": 71.00,
"alpha": 90.00,
"beta": 99.28,
"gamma": 90.00
},
"wavelengths": [0.91840,0.97953,0.97939],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.553,1.70],
"number_observations_unique": 24223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.080
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.33
}
]
},
"refln_shells": [
{
"resolution_limits": [1.80,1.70],
"number_observations": 11773,
"number_observations_unique": 7112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 95.10
}
]
},
{
"resolution_limits": [1.90,1.80],
"number_observations": 10241,
"number_observations_unique": 5818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 97.20
}
]
},
{
"resolution_limits": [2.00,1.90],
"number_observations": 8293,
"number_observations_unique": 4702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 97.40
}
]
},
{
"resolution_limits": [2.07,2.00],
"number_observations": 4988,
"number_observations_unique": 2805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 97.90
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations": 4957,
"number_observations_unique": 2788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations": 5148,
"number_observations_unique": 2929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations": 5101,
"number_observations_unique": 2887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 98.20
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations": 5080,
"number_observations_unique": 2866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations": 4966,
"number_observations_unique": 2816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations": 5087,
"number_observations_unique": 2972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations": 4907,
"number_observations_unique": 2824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [4.30,3.42],
"number_observations": 5047,
"number_observations_unique": 2859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [29.553,4.30],
"number_observations": 5152,
"number_observations_unique": 2861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 97.30
}
]
}
]
}