Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b8c7299825db583a4ec325d1d3fccce",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.76,
"b": 72.19,
"c": 85.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.900,1.860],
"number_observations_unique": 35356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.680
}
]
},
"refln_shells": [
{
"resolution_limits": [1.93,1.86],
"number_observations": 15641,
"number_observations_unique": 3555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 4.38
}
]
},
{
"resolution_limits": [2.00,1.93],
"number_observations": 16082,
"number_observations_unique": 3610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 4.43
}
]
},
{
"resolution_limits": [2.09,2.00],
"number_observations": 16179,
"number_observations_unique": 3593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 4.48
}
]
},
{
"resolution_limits": [2.20,2.09],
"number_observations": 16612,
"number_observations_unique": 3588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [2.34,2.20],
"number_observations": 16654,
"number_observations_unique": 3553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 4.65
}
]
},
{
"resolution_limits": [2.52,2.34],
"number_observations": 17061,
"number_observations_unique": 3568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 96.00
},
{
"type": "Redundancy",
"value": 4.75
}
]
},
{
"resolution_limits": [2.78,2.52],
"number_observations": 17042,
"number_observations_unique": 3532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 95.20
},
{
"type": "Redundancy",
"value": 4.78
}
]
},
{
"resolution_limits": [3.18,2.78],
"number_observations": 17298,
"number_observations_unique": 3509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 93.80
},
{
"type": "Redundancy",
"value": 4.89
}
]
},
{
"resolution_limits": [4.00,3.18],
"number_observations": 17093,
"number_observations_unique": 3460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 17.8
},
{
"type": "Completeness",
"value": 91.30
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [19.90,4.00],
"number_observations": 16967,
"number_observations_unique": 3388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 18.4
},
{
"type": "Completeness",
"value": 86.30
},
{
"type": "Redundancy",
"value": 4.95
}
]
}
]
}