Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b0d13a35d9c17ad136482ef9d047fc79",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.530,
"b": 92.709,
"c": 48.990,
"alpha": 90.00,
"beta": 113.11,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.71,2.40],
"number_observations_unique": 15234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 7.8759
},
{
"type": "Completeness",
"value": 99.23
},
{
"type": "Redundancy",
"value": 3.41
}
]
},
"refln_shells": [
{
"resolution_limits": [2.53,2.40],
"number_observations": 7792,
"number_observations_unique": 2221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.66
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.51
}
]
},
{
"resolution_limits": [2.68,2.53],
"number_observations": 7277,
"number_observations_unique": 2090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.52
},
{
"type": "Completeness",
"value": 99.13
},
{
"type": "Redundancy",
"value": 3.48
}
]
},
{
"resolution_limits": [2.87,2.68],
"number_observations": 6532,
"number_observations_unique": 1966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.37
},
{
"type": "Completeness",
"value": 98.98
},
{
"type": "Redundancy",
"value": 3.32
}
]
},
{
"resolution_limits": [3.10,2.87],
"number_observations": 6315,
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.29
},
{
"type": "Completeness",
"value": 99.62
},
{
"type": "Redundancy",
"value": 3.42
}
]
},
{
"resolution_limits": [3.39,3.10],
"number_observations": 5977,
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19
},
{
"type": "Completeness",
"value": 99.61
},
{
"type": "Redundancy",
"value": 3.54
}
]
},
{
"resolution_limits": [3.79,3.39],
"number_observations": 5148,
"number_observations_unique": 1543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.12
},
{
"type": "Completeness",
"value": 99.61
},
{
"type": "Redundancy",
"value": 3.34
}
]
},
{
"resolution_limits": [4.38,3.79],
"number_observations": 4611,
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "Completeness",
"value": 99.18
},
{
"type": "Redundancy",
"value": 3.41
}
]
},
{
"resolution_limits": [5.37,4.38],
"number_observations": 3790,
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "Completeness",
"value": 99.25
},
{
"type": "Redundancy",
"value": 3.29
}
]
},
{
"resolution_limits": [7.59,5.37],
"number_observations": 2940,
"number_observations_unique": 879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "Completeness",
"value": 98.38
},
{
"type": "Redundancy",
"value": 3.34
}
]
},
{
"resolution_limits": [92.71,7.59],
"number_observations": 1592,
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "Completeness",
"value": 97.12
},
{
"type": "Redundancy",
"value": 3.20
}
]
}
]
}