Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ce6147393877559c2c6843e59d69390",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 99.695,
"b": 99.695,
"c": 263.431,
"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": 23895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 86.400
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations_unique": 1195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 8.947
},
{
"type": "Completeness",
"value": 44.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 1552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 7.938
},
{
"type": "Completeness",
"value": 57.400
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 2027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 9.214
},
{
"type": "Completeness",
"value": 75.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations_unique": 2523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 11.532
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 2704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 18.455
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 2742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 27.349
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 2712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 36.207
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations_unique": 2769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 30.417
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [5.380,4.270],
"number_observations_unique": 2824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 34.729
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [30.000,5.380],
"number_observations_unique": 2847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 28.456
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 8.900
}
]
}
]
}