Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bfb21d22218185ad5d27ec2318afda8",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 56.535,
"b": 59.169,
"c": 71.930,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97956],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.499],
"number_observations_unique": 18747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.55,1.499],
"number_observations_unique": 1772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "Completeness",
"value": 90.40
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [1.62,1.55],
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [1.69,1.62],
"number_observations_unique": 1949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [1.78,1.69],
"number_observations_unique": 1952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.70
}
]
},
{
"resolution_limits": [1.89,1.78],
"number_observations_unique": 1952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [2.04,1.89],
"number_observations_unique": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.24,2.04],
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 91.50
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.56,2.24],
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 89.90
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [3.23,2.56],
"number_observations_unique": 1994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [50.00,3.23],
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 81.90
},
{
"type": "Redundancy",
"value": 6.50
}
]
}
]
}