Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a12f353f25f716f3d57d808084c1eccc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 83.171,
"b": 85.145,
"c": 292.549,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.86],
"number_observations_unique": 52758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 99.11
},
{
"type": "Redundancy",
"value": 6.15
}
]
},
"refln_shells": [
{
"resolution_limits": [2.96,2.86],
"number_observations_unique": 7151,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.83
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 99.11
},
{
"type": "Redundancy",
"value": 5.96
}
]
},
{
"resolution_limits": [3.13,2.96],
"number_observations_unique": 8115,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.207
},
{
"type": "I/SigI",
"value": 2.13
},
{
"type": "Redundancy",
"value": 6.28
}
]
},
{
"resolution_limits": [3.38,3.13],
"number_observations_unique": 7581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 4.21
},
{
"type": "Redundancy",
"value": 6.29
}
]
},
{
"resolution_limits": [3.70,3.38],
"number_observations_unique": 6999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 7.71
},
{
"type": "Redundancy",
"value": 6.24
}
]
},
{
"resolution_limits": [4.14,3.70],
"number_observations_unique": 6351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 12.04
},
{
"type": "Redundancy",
"value": 6.17
}
]
},
{
"resolution_limits": [4.77,4.14],
"number_observations_unique": 5649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 18.35
},
{
"type": "Redundancy",
"value": 6.12
}
]
},
{
"resolution_limits": [5.83,4.77],
"number_observations_unique": 4822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 21.28
},
{
"type": "Redundancy",
"value": 5.94
}
]
},
{
"resolution_limits": [8.19,5.83],
"number_observations_unique": 3817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 26.70
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [42.3,8.19],
"number_observations_unique": 2273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 34.88
},
{
"type": "Redundancy",
"value": 5.5
}
]
}
]
}