Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "081ad5e734f52b65e3f4d61fcd3cb2e0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 151.122,
"b": 145.484,
"c": 97.245,
"alpha": 90.00,
"beta": 93.79,
"gamma": 90.00
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.41],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.11,3.00],
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "Completeness",
"value": 72.80
},
{
"type": "Redundancy",
"value": 1.90
}
]
},
{
"resolution_limits": [3.23,3.11],
"number_observations_unique": 3203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "Completeness",
"value": 83.70
},
{
"type": "Redundancy",
"value": 2.00
}
]
},
{
"resolution_limits": [3.38,3.23],
"number_observations_unique": 3313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 85.90
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [3.56,3.38],
"number_observations_unique": 3346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "Completeness",
"value": 87.30
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [3.78,3.56],
"number_observations_unique": 3494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "Completeness",
"value": 89.80
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [4.07,3.78],
"number_observations_unique": 3575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "Completeness",
"value": 93.50
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [4.48,4.07],
"number_observations_unique": 3755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [5.13,4.48],
"number_observations_unique": 3722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 96.50
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [6.46,5.13],
"number_observations_unique": 3804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [50.00,6.46],
"number_observations_unique": 3885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 4.10
}
]
}
]
}