Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25819140a2dc9a8466097c968df527fd",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 53.39,
"b": 151.85,
"c": 80.24,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.50,2.390],
"number_observations_unique": 12774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.430
}
]
},
"refln_shells": [
{
"resolution_limits": [2.48,2.39],
"number_observations": 5670,
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 95.60
},
{
"type": "Redundancy",
"value": 4.43
}
]
},
{
"resolution_limits": [2.57,2.48],
"number_observations": 5643,
"number_observations_unique": 1255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 4.45
}
]
},
{
"resolution_limits": [2.69,2.57],
"number_observations": 5658,
"number_observations_unique": 1259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 4.46
}
]
},
{
"resolution_limits": [2.83,2.69],
"number_observations": 5713,
"number_observations_unique": 1268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 4.47
}
]
},
{
"resolution_limits": [3.01,2.83],
"number_observations": 5660,
"number_observations_unique": 1266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 4.43
}
]
},
{
"resolution_limits": [3.24,3.01],
"number_observations": 5675,
"number_observations_unique": 1274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 4.43
}
]
},
{
"resolution_limits": [3.57,3.24],
"number_observations": 5760,
"number_observations_unique": 1289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 4.44
}
]
},
{
"resolution_limits": [4.08,3.57],
"number_observations": 5735,
"number_observations_unique": 1294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 16.9
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 4.41
}
]
},
{
"resolution_limits": [5.12,4.08],
"number_observations": 5771,
"number_observations_unique": 1296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 23.1
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 4.43
}
]
},
{
"resolution_limits": [19.50,5.12],
"number_observations": 5715,
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 28.5
},
{
"type": "Completeness",
"value": 92.20
},
{
"type": "Redundancy",
"value": 4.35
}
]
}
]
}