Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56f63ebf3a4f1ac0db3d0d0af7ce2986",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.895,
"b": 62.465,
"c": 67.998,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.94645,0.97942,0.97921],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.163,1.920],
"number_observations_unique": 14877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.99,1.92],
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.857
},
{
"type": "Completeness",
"value": 81.00
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.07,1.99],
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 91.90
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.16,2.07],
"number_observations_unique": 1552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.28,2.16],
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 65.40
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.42,2.28],
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.61,2.42],
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.87,2.61],
"number_observations_unique": 1601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [3.28,2.87],
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [4.14,3.28],
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "Completeness",
"value": 86.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [50.00,4.14],
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 4.00
}
]
}
]
}