Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd45a17a61448b1f89e106d4590b7f24",
"space_group_name": "P 1",
"unit_cell": {
"a": 36.090,
"b": 64.838,
"c": 68.062,
"alpha": 93.48,
"beta": 94.10,
"gamma": 100.25
},
"wavelengths": [1.54200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.700,2.260],
"number_observations_unique": 27037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 1.960
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.260],
"number_observations": 5151,
"number_observations_unique": 2624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [2.430,2.340],
"number_observations": 5212,
"number_observations_unique": 2648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 1.960
}
]
},
{
"resolution_limits": [2.550,2.430],
"number_observations": 5268,
"number_observations_unique": 2674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 1.960
}
]
},
{
"resolution_limits": [2.680,2.550],
"number_observations": 5266,
"number_observations_unique": 2685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations": 5376,
"number_observations_unique": 2741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [3.070,2.850],
"number_observations": 5263,
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 1.950
}
]
},
{
"resolution_limits": [3.380,3.070],
"number_observations": 5360,
"number_observations_unique": 2716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.960
}
]
},
{
"resolution_limits": [3.860,3.380],
"number_observations": 5412,
"number_observations_unique": 2740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 1.960
}
]
},
{
"resolution_limits": [4.870,3.860],
"number_observations": 5467,
"number_observations_unique": 2763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 1.960
}
]
},
{
"resolution_limits": [67.700,4.870],
"number_observations": 5507,
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 1.960
}
]
}
]
}