Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8370426e0d9894538b5c4c71e46169d5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 114.608,
"b": 125.848,
"c": 196.542,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97911],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.503,2.70],
"number_observations_unique": 74236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 7.416
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.80,2.70],
"number_observations_unique": 5801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 74.300
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.91,2.80],
"number_observations_unique": 6195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [3.04,2.91],
"number_observations_unique": 6999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.20,3.04],
"number_observations_unique": 7631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.40,3.20],
"number_observations_unique": 7822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.66,3.40],
"number_observations_unique": 7806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.03,3.66],
"number_observations_unique": 7868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.62,4.03],
"number_observations_unique": 7898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [5.82,4.62],
"number_observations_unique": 7966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [49.50,5.82],
"number_observations_unique": 8250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
}
]
}
]
}