Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9147badbe2d162b434aabc032f5afdaa",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 66.873,
"b": 66.873,
"c": 152.490,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.300],
"number_observations_unique": 16203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 88.4
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.300],
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 55.4
},
{
"type": "Redundancy",
"value": 3.9
}
]
},
{
"resolution_limits": [2.410,2.350],
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 57.2
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
{
"resolution_limits": [2.480,2.410],
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 63.2
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 69.9
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
{
"resolution_limits": [2.630,2.550],
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 81.5
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [3.120,2.970],
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [3.320,3.120],
"number_observations_unique": 1220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [3.570,3.320],
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [3.930,3.570],
"number_observations_unique": 1239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [4.500,3.930],
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [5.670,4.500],
"number_observations_unique": 1256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [50.000,5.670],
"number_observations_unique": 1354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.7
}
]
}
]
}