Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "196bf2339b249f63d22cc387c208ee64",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 113.90,
"b": 117.20,
"c": 56.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.84,2.45],
"number_observations_unique": 28529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.57,2.45],
"number_observations_unique": 30350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [2.73,2.58],
"number_observations_unique": 28268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [2.92,2.74],
"number_observations_unique": 26753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [3.15,2.93],
"number_observations_unique": 24377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [3.45,3.16],
"number_observations_unique": 21613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [3.86,3.46],
"number_observations_unique": 19258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 24.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [4.46,3.87],
"number_observations_unique": 16850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 30.7
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [5.47,4.47],
"number_observations_unique": 14476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 33.6
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [7.74,5.48],
"number_observations_unique": 11311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 35.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [40,7.75],
"number_observations_unique": 6162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 40.7
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.1
}
]
}
]
}