Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe3aa7bb5d0473a556ebc2ac9aa0b8cf",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 76.263,
"b": 110.494,
"c": 44.158,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.300],
"number_observations_unique": 91220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.35,1.30],
"number_observations_unique": 8532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.599
},
{
"type": "Completeness",
"value": 94.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [1.40,1.35],
"number_observations_unique": 8972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [1.46,1.40],
"number_observations_unique": 9058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [1.54,1.46],
"number_observations_unique": 9057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [1.64,1.54],
"number_observations_unique": 9091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [1.76,1.64],
"number_observations_unique": 9147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [1.94,1.76],
"number_observations_unique": 9158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.22,1.94],
"number_observations_unique": 9216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.80,2.22],
"number_observations_unique": 9327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [50.00,2.80],
"number_observations_unique": 9662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 9.50
}
]
}
]
}