Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "261a294bddc6bdef6db7572d0c4573cc",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.104,
"b": 81.104,
"c": 223.962,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.500],
"number_observations_unique": 28418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 18.569
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations_unique": 1993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.22
},
{
"type": "Completeness",
"value": 66.800
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 2807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 3.25
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 2970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 5.80
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations_unique": 2939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 10.09
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 3034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 16.98
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 2985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 22.28
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 3013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 32.08
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations_unique": 2969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 27.72
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [5.380,4.270],
"number_observations_unique": 2891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 19.44
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [30.000,5.380],
"number_observations_unique": 2817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 16.31
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
}
]
}