Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5cf70bc706a6dc2c40999414465f0ef9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.871,
"b": 49.890,
"c": 76.511,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.60],
"number_observations_unique": 24243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 58.6
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 14.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.60],
"number_observations_unique": 2397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.4
}
]
},
{
"resolution_limits": [1.72,1.66],
"number_observations_unique": 2407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.4
}
]
},
{
"resolution_limits": [1.80,1.72],
"number_observations_unique": 2406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 17.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.4
}
]
},
{
"resolution_limits": [1.90,1.80],
"number_observations_unique": 2379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 27.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.5
}
]
},
{
"resolution_limits": [2.02,1.90],
"number_observations_unique": 2417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 43.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.4
}
]
},
{
"resolution_limits": [2.17,2.02],
"number_observations_unique": 2424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 54.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.4
}
]
},
{
"resolution_limits": [2.39,2.17],
"number_observations_unique": 2433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 65.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.4
}
]
},
{
"resolution_limits": [2.74,2.39],
"number_observations_unique": 2448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 77.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.4
}
]
},
{
"resolution_limits": [3.45,2.74],
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 84.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.2
}
]
},
{
"resolution_limits": [30.00,3.45],
"number_observations_unique": 2451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 55.0
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "Redundancy",
"value": 12.3
}
]
}
]
}