Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7eeb1b353d7b7a01d595cd647fe15ce3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.871,
"b": 66.803,
"c": 65.053,
"alpha": 90.00,
"beta": 109.03,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.240,0.950],
"number_observations_unique": 236813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 4.440
}
]
},
"refln_shells": [
{
"resolution_limits": [0.98,0.95],
"number_observations": 105870,
"number_observations_unique": 22049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 80.90
},
{
"type": "Redundancy",
"value": 4.54
}
]
},
{
"resolution_limits": [1.02,0.98],
"number_observations": 122626,
"number_observations_unique": 24460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 89.90
},
{
"type": "Redundancy",
"value": 4.77
}
]
},
{
"resolution_limits": [1.07,1.02],
"number_observations": 121014,
"number_observations_unique": 24590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 90.20
},
{
"type": "Redundancy",
"value": 4.74
}
]
},
{
"resolution_limits": [1.13,1.07],
"number_observations": 116610,
"number_observations_unique": 24467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 89.80
},
{
"type": "Redundancy",
"value": 4.63
}
]
},
{
"resolution_limits": [1.20,1.13],
"number_observations": 111973,
"number_observations_unique": 24291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 89.10
},
{
"type": "Redundancy",
"value": 4.52
}
]
},
{
"resolution_limits": [1.29,1.20],
"number_observations": 106549,
"number_observations_unique": 23947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 87.80
},
{
"type": "Redundancy",
"value": 4.37
}
]
},
{
"resolution_limits": [1.42,1.29],
"number_observations": 101357,
"number_observations_unique": 23593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 86.30
},
{
"type": "Redundancy",
"value": 4.24
}
]
},
{
"resolution_limits": [1.62,1.42],
"number_observations": 96536,
"number_observations_unique": 23075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 84.50
},
{
"type": "Redundancy",
"value": 4.14
}
]
},
{
"resolution_limits": [2.05,1.62],
"number_observations": 93324,
"number_observations_unique": 22734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 16.3
},
{
"type": "Completeness",
"value": 83.00
},
{
"type": "Redundancy",
"value": 4.06
}
]
},
{
"resolution_limits": [45.24,2.05],
"number_observations": 104905,
"number_observations_unique": 23607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 31.1
},
{
"type": "Completeness",
"value": 85.40
},
{
"type": "Redundancy",
"value": 4.33
}
]
}
]
}