Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83f3705ff9da28bf287551dcf00c82b2",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 34.621,
"b": 130.335,
"c": 56.214,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.800],
"number_observations_unique": 12156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.80],
"number_observations_unique": 1170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [1.94,1.86],
"number_observations_unique": 1202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.03,1.94],
"number_observations_unique": 1182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.13,2.03],
"number_observations_unique": 1208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.27,2.13],
"number_observations_unique": 1191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.44,2.27],
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.69,2.44],
"number_observations_unique": 1211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [3.08,2.69],
"number_observations_unique": 1219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [3.88,3.08],
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [50.00,3.88],
"number_observations_unique": 1297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 6.30
}
]
}
]
}