Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "099a12749d9854edea928960de507604",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.570,
"b": 113.956,
"c": 89.173,
"alpha": 90.00,
"beta": 116.23,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,3.000],
"number_observations_unique": 30368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [3.11,3.00],
"number_observations_unique": 2927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [3.23,3.11],
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.38,3.23],
"number_observations_unique": 3004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [3.55,3.38],
"number_observations_unique": 3061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.78,3.55],
"number_observations_unique": 3011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [4.06,3.78],
"number_observations_unique": 3077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [4.47,4.06],
"number_observations_unique": 3049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [5.11,4.47],
"number_observations_unique": 3036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [6.40,5.11],
"number_observations_unique": 3094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [20.00,6.40],
"number_observations_unique": 3104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.80
}
]
}
]
}