Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20680460545b9eb9dbb5c2d2e013399d",
"space_group_name": "P 1",
"unit_cell": {
"a": 53.822,
"b": 53.901,
"c": 195.815,
"alpha": 97.15,
"beta": 92.27,
"gamma": 113.64
},
"wavelengths": [0.97620,0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations": 579160,
"number_observations_unique": 259707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.600],
"number_observations_unique": 24917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.720,1.660],
"number_observations_unique": 25118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.800,1.720],
"number_observations_unique": 25300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.900,1.800],
"number_observations_unique": 25060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.020,1.900],
"number_observations_unique": 25206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.170,2.020],
"number_observations_unique": 25233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.390,2.170],
"number_observations_unique": 25083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.740,2.390],
"number_observations_unique": 25172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [3.450,2.740],
"number_observations_unique": 25141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [50.000,3.450],
"number_observations_unique": 23631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 2.300
}
]
}
]
}