Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9642c88dfae4ada3c3e44972dbdae74c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.869,
"b": 91.799,
"c": 139.636,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations": 74772,
"number_observations_unique": 23588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.800],
"number_observations_unique": 2308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.692
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.020,2.900],
"number_observations_unique": 2294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.150,3.020],
"number_observations_unique": 2334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.320,3.150],
"number_observations_unique": 2338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.530,3.320],
"number_observations_unique": 2342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.800,3.530],
"number_observations_unique": 2381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [4.180,3.800],
"number_observations_unique": 2359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [4.790,4.180],
"number_observations_unique": 2391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [6.030,4.790],
"number_observations_unique": 2385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [50.000,6.030],
"number_observations_unique": 2456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}