Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1e5c68e8248d50006773fd239ec43b1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.85,
"b": 81.29,
"c": 132.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.970,1.800],
"number_observations_unique": 44150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.490
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.80],
"number_observations": 17155,
"number_observations_unique": 4550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.73
}
]
},
{
"resolution_limits": [1.94,1.86],
"number_observations": 17939,
"number_observations_unique": 4597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 3.86
}
]
},
{
"resolution_limits": [2.03,1.94],
"number_observations": 17559,
"number_observations_unique": 4533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 3.83
}
]
},
{
"resolution_limits": [2.13,2.03],
"number_observations": 17210,
"number_observations_unique": 4520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 3.76
}
]
},
{
"resolution_limits": [2.27,2.13],
"number_observations": 17646,
"number_observations_unique": 4496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 3.87
}
]
},
{
"resolution_limits": [2.44,2.27],
"number_observations": 15656,
"number_observations_unique": 4442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 3.48
}
]
},
{
"resolution_limits": [2.69,2.44],
"number_observations": 13445,
"number_observations_unique": 4296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 92.00
},
{
"type": "Redundancy",
"value": 3.08
}
]
},
{
"resolution_limits": [3.07,2.69],
"number_observations": 12441,
"number_observations_unique": 4212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 89.90
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [3.87,3.07],
"number_observations": 13340,
"number_observations_unique": 4239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 89.40
},
{
"type": "Redundancy",
"value": 3.08
}
]
},
{
"resolution_limits": [19.97,3.87],
"number_observations": 14350,
"number_observations_unique": 4265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 24.0
},
{
"type": "Completeness",
"value": 86.40
},
{
"type": "Redundancy",
"value": 3.20
}
]
}
]
}