Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7fe7771564b06af69296d97fb11d6d05",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.011,
"b": 122.322,
"c": 124.764,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.000,2.100],
"number_observations_unique": 58890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.100],
"number_observations_unique": 5649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations_unique": 5814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.360,2.260],
"number_observations_unique": 5837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.490,2.360],
"number_observations_unique": 5861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.640,2.490],
"number_observations_unique": 5899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.850,2.640],
"number_observations_unique": 5882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.130,2.850],
"number_observations_unique": 5934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.580,3.130],
"number_observations_unique": 5943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.490,3.580],
"number_observations_unique": 5976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [15.000,4.490],
"number_observations_unique": 6095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.100
}
]
}
]
}