Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87543adbd9e1e5d17578a03306ddbec1",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 208.598,
"b": 277.439,
"c": 125.891,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91830],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,6.500],
"number_observations_unique": 14922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 15.1
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [6.730,6.500],
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.805
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [7.000,6.730],
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [7.320,7.000],
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [7.700,7.320],
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [8.180,7.700],
"number_observations_unique": 1477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [8.810,8.180],
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [9.690,8.810],
"number_observations_unique": 1512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [11.080,9.690],
"number_observations_unique": 1490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 24.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [13.910,11.080],
"number_observations_unique": 1545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 32.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [50.000,13.910],
"number_observations_unique": 1587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 40.1
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}