Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d72dbcfff5f95c7a2c1d8b5c98b1ad74",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 94.178,
"b": 94.178,
"c": 188.801,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.690,2.400],
"number_observations_unique": 28540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 83.800
},
{
"type": "Redundancy",
"value": 6.880
}
]
},
"refln_shells": [
{
"resolution_limits": [2.49,2.40],
"number_observations": 12872,
"number_observations_unique": 1812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 54.30
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.59,2.49],
"number_observations": 17171,
"number_observations_unique": 2240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 67.50
},
{
"type": "Redundancy",
"value": 7.66
}
]
},
{
"resolution_limits": [2.70,2.59],
"number_observations": 25251,
"number_observations_unique": 2967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 88.30
},
{
"type": "Redundancy",
"value": 8.50
}
]
},
{
"resolution_limits": [2.85,2.70],
"number_observations": 30839,
"number_observations_unique": 3294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 9.35
}
]
},
{
"resolution_limits": [3.02,2.85],
"number_observations": 30124,
"number_observations_unique": 3274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 9.19
}
]
},
{
"resolution_limits": [3.26,3.02],
"number_observations": 29062,
"number_observations_unique": 3304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 8.78
}
]
},
{
"resolution_limits": [3.58,3.26],
"number_observations": 22321,
"number_observations_unique": 3263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 6.79
}
]
},
{
"resolution_limits": [4.10,3.58],
"number_observations": 13535,
"number_observations_unique": 3055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 89.00
},
{
"type": "Redundancy",
"value": 4.32
}
]
},
{
"resolution_limits": [5.17,4.10],
"number_observations": 9233,
"number_observations_unique": 2704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 78.20
},
{
"type": "Redundancy",
"value": 3.25
}
]
},
{
"resolution_limits": [45.69,5.17],
"number_observations": 7528,
"number_observations_unique": 2627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 71.70
},
{
"type": "Redundancy",
"value": 2.72
}
]
}
]
}