Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d99b55ae0e3d413d3d4525bbc0fc7872",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.31,
"b": 61.70,
"c": 50.64,
"alpha": 90.00,
"beta": 105.43,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,1.800],
"number_observations_unique": 20706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.80],
"number_observations": 10812,
"number_observations_unique": 2952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 95.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.01,1.90],
"number_observations": 10467,
"number_observations_unique": 2835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.15,2.01],
"number_observations": 9658,
"number_observations_unique": 2620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.32,2.15],
"number_observations": 9154,
"number_observations_unique": 2473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.55,2.32],
"number_observations": 8654,
"number_observations_unique": 2336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.85,2.55],
"number_observations": 7822,
"number_observations_unique": 2103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.29,2.85],
"number_observations": 6949,
"number_observations_unique": 1862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.02,3.29],
"number_observations": 5942,
"number_observations_unique": 1589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [5.69,4.02],
"number_observations": 4664,
"number_observations_unique": 1255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 20.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [19.14,5.69],
"number_observations": 2462,
"number_observations_unique": 681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 3.60
}
]
}
]
}