Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a44fcbc2ee108959b8fab11c7e42a0c",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 76.58,
"b": 86.97,
"c": 166.78,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81230],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.390,2.155],
"number_observations_unique": 29532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.155],
"number_observations": 15658,
"number_observations_unique": 4134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.410,2.270],
"number_observations": 17359,
"number_observations_unique": 4111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.580,2.410],
"number_observations": 16309,
"number_observations_unique": 3836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.780,2.580],
"number_observations": 15203,
"number_observations_unique": 3578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.050,2.780],
"number_observations": 14184,
"number_observations_unique": 3318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.410,3.050],
"number_observations": 12680,
"number_observations_unique": 2975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 14.8
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.930,3.410],
"number_observations": 11305,
"number_observations_unique": 2641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 22.3
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.820,3.930],
"number_observations": 9625,
"number_observations_unique": 2255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 30.3
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [6.810,4.820],
"number_observations": 7298,
"number_observations_unique": 1733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 29.7
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [19.980,6.810],
"number_observations": 3508,
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}