Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "474880067f47ff15e2b1cb72fb6e86cd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.177,
"b": 68.178,
"c": 66.613,
"alpha": 90.0,
"beta": 102.1,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 30901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 2794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 88.70
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 2957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "Completeness",
"value": 94.40
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 3022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 3104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 3136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 3182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 3158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 3157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 3162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [50.00,4.31],
"number_observations_unique": 3229,
"quality_factors": [
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}