Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b1ca25ef8e6cf522225e7d37d146fb8",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 61.394,
"b": 61.394,
"c": 97.786,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.07810],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.123,1.90],
"number_observations_unique": 9041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 48.39
},
{
"type": "Completeness",
"value": 98.9
}
]
},
"refln_shells": [
{
"resolution_limits": [3.25,2.84],
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 63.74
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 41.0
}
]
},
{
"resolution_limits": [2.83,2.54],
"number_observations_unique": 1062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 43.07
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 41.5
}
]
},
{
"resolution_limits": [2.53,2.32],
"number_observations_unique": 1175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 27.88
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 41.7
}
]
},
{
"resolution_limits": [2.31,2.15],
"number_observations_unique": 1252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 22.61
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 41.9
}
]
},
{
"resolution_limits": [2.14,2.02],
"number_observations_unique": 1261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 15.44
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 41.8
}
]
},
{
"resolution_limits": [2.01,1.90],
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "I/SigI",
"value": 9.08
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 41.4
}
]
}
]
}