Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2eb0e59dfb9a40628f23fb72e1d61476",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.817,
"b": 70.869,
"c": 48.769,
"alpha": 90.00,
"beta": 98.21,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.000,1.310],
"number_observations_unique": 64628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 83.300
},
{
"type": "Redundancy",
"value": 1.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.36,1.31],
"number_observations_unique": 11765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "Completeness",
"value": 85.90
},
{
"type": "Redundancy",
"value": 1.40
}
]
},
{
"resolution_limits": [1.41,1.36],
"number_observations_unique": 11751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "Completeness",
"value": 86.30
},
{
"type": "Redundancy",
"value": 1.40
}
]
},
{
"resolution_limits": [1.48,1.41],
"number_observations_unique": 11819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 86.10
},
{
"type": "Redundancy",
"value": 1.40
}
]
},
{
"resolution_limits": [1.55,1.48],
"number_observations_unique": 11611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 85.60
},
{
"type": "Redundancy",
"value": 1.40
}
]
},
{
"resolution_limits": [1.65,1.55],
"number_observations_unique": 11689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 85.30
},
{
"type": "Redundancy",
"value": 1.50
}
]
},
{
"resolution_limits": [1.78,1.65],
"number_observations_unique": 11499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 84.20
},
{
"type": "Redundancy",
"value": 1.50
}
]
},
{
"resolution_limits": [1.96,1.78],
"number_observations_unique": 11355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 82.90
},
{
"type": "Redundancy",
"value": 1.50
}
]
},
{
"resolution_limits": [2.24,1.96],
"number_observations_unique": 11169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 81.80
},
{
"type": "Redundancy",
"value": 1.50
}
]
},
{
"resolution_limits": [2.82,2.24],
"number_observations_unique": 10921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 79.90
},
{
"type": "Redundancy",
"value": 1.50
}
]
},
{
"resolution_limits": [35.00,2.82],
"number_observations_unique": 10220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 74.80
},
{
"type": "Redundancy",
"value": 1.60
}
]
}
]
}