Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c137e2f01a3ee727b080a7fb2e6c57e",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 84.237,
"b": 111.008,
"c": 258.867,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.37790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.78],
"number_observations_unique": 21143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [4.030,3.78],
"number_observations_unique": 2310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "Completeness",
"value": 84.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [4.240,4.030],
"number_observations_unique": 2500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [4.500,4.240],
"number_observations_unique": 2676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.850,4.500],
"number_observations_unique": 2731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.340,4.850],
"number_observations_unique": 2723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [6.110,5.340],
"number_observations_unique": 2749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [7.690,6.110],
"number_observations_unique": 2735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [50.000,7.690],
"number_observations_unique": 2719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}