Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27094524a9fab4a573f4e81023e269a0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.996,
"b": 66.436,
"c": 148.774,
"alpha": 90.00,
"beta": 98.59,
"gamma": 90.00
},
"wavelengths": [0.97928],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.326,2.45],
"number_observations_unique": 50144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 7.087
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.51,2.45],
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 2.261
},
{
"type": "Completeness",
"value": 80.300
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.57,2.51],
"number_observations_unique": 3032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.64,2.57],
"number_observations_unique": 3137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.72,2.64],
"number_observations_unique": 3245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.80,2.72],
"number_observations_unique": 3239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.90,2.80],
"number_observations_unique": 3322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.32
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.02,2.90],
"number_observations_unique": 3324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.16,3.02],
"number_observations_unique": 3339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.33,3.16],
"number_observations_unique": 3355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.53,3.33],
"number_observations_unique": 3375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.81,3.53],
"number_observations_unique": 3445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.19,3.81],
"number_observations_unique": 3551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.80,4.19],
"number_observations_unique": 3601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [6.04,4.80],
"number_observations_unique": 3632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [80.00,6.04],
"number_observations_unique": 3715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
}
]
}