Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6b0779e9ae4dc2bb8bc6aea266aa141",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 82.376,
"b": 82.376,
"c": 141.509,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.198],
"number_observations_unique": 25514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 9.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.198],
"number_observations_unique": 2503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations_unique": 2501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations_unique": 2509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.5
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 2505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.5
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations_unique": 2540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.5
}
]
},
{
"resolution_limits": [2.990,2.770],
"number_observations_unique": 2520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.4
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations_unique": 2556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.4
}
]
},
{
"resolution_limits": [3.760,3.290],
"number_observations_unique": 2570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.2
}
]
},
{
"resolution_limits": [4.740,3.760],
"number_observations_unique": 2560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 9.0
}
]
},
{
"resolution_limits": [50.000,4.740],
"number_observations_unique": 2750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 8.6
}
]
}
]
}