Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "198c3ff8655f972fce541b2de50b22c5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.371,
"b": 61.564,
"c": 119.074,
"alpha": 90.00,
"beta": 102.89,
"gamma": 90.00
},
"wavelengths": [0.93930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [116.248,2.300],
"number_observations_unique": 27899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 11125,
"number_observations_unique": 4185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.570,2.420],
"number_observations": 10498,
"number_observations_unique": 3947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.750,2.570],
"number_observations": 9810,
"number_observations_unique": 3693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.970,2.750],
"number_observations": 9210,
"number_observations_unique": 3468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.250,2.970],
"number_observations": 8324,
"number_observations_unique": 3155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.640,3.250],
"number_observations": 7502,
"number_observations_unique": 2844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [4.200,3.640],
"number_observations": 6522,
"number_observations_unique": 2488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [5.140,4.200],
"number_observations": 5413,
"number_observations_unique": 2085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [7.270,5.140],
"number_observations": 3676,
"number_observations_unique": 1493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [58.026,7.270],
"number_observations": 1293,
"number_observations_unique": 541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 53.900
},
{
"type": "Redundancy",
"value": 2.400
}
]
}
]
}