Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55ae798ac5159215326dce9b49676ca1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.98,
"b": 65.12,
"c": 86.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91838,0.97849,0.97909],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.64,2.000],
"number_observations_unique": 18535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.86
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.549
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations": 5734,
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 2.33
},
{
"type": "Completeness",
"value": 97.30
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations": 6088,
"number_observations_unique": 3195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 94.30
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations": 6496,
"number_observations_unique": 3398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 95.20
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations": 6508,
"number_observations_unique": 3410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 96.70
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations": 6533,
"number_observations_unique": 3413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 97.10
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations": 6370,
"number_observations_unique": 3330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 97.50
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations": 6673,
"number_observations_unique": 3495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations": 6534,
"number_observations_unique": 3403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [28.64,3.42],
"number_observations": 6541,
"number_observations_unique": 3430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 99.20
}
]
}
]
}