Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51fd85865592c18633d5f5d803034c43",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 110.752,
"b": 126.080,
"c": 180.816,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.23985],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations_unique": 115287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.800],
"number_observations_unique": 11228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations_unique": 11317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.030,1.940],
"number_observations_unique": 11433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.130,2.030],
"number_observations_unique": 11465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.270,2.130],
"number_observations_unique": 11491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.440,2.270],
"number_observations_unique": 11502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.690,2.440],
"number_observations_unique": 11572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.080,2.690],
"number_observations_unique": 11600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.880,3.080],
"number_observations_unique": 11682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [50.000,3.880],
"number_observations_unique": 11997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}