Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f04a23466a898e2eddb3db3bae1594d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 83.383,
"b": 115.095,
"c": 86.213,
"alpha": 90.00,
"beta": 101.82,
"gamma": 90.00
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.150],
"number_observations_unique": 82082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.20,2.15],
"number_observations_unique": 5159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "Completeness",
"value": 93.50
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [2.25,2.20],
"number_observations_unique": 5239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "Completeness",
"value": 94.60
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [2.32,2.25],
"number_observations_unique": 5368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.38,2.32],
"number_observations_unique": 5424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.46,2.38],
"number_observations_unique": 5474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.55,2.46],
"number_observations_unique": 5503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.65,2.55],
"number_observations_unique": 5539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [2.77,2.65],
"number_observations_unique": 5535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.92,2.77],
"number_observations_unique": 5543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.10,2.92],
"number_observations_unique": 5539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [3.34,3.10],
"number_observations_unique": 5561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.67,3.34],
"number_observations_unique": 5538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [4.20,3.67],
"number_observations_unique": 5558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [5.27,4.20],
"number_observations_unique": 5546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [20.00,5.27],
"number_observations_unique": 5556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 3.90
}
]
}
]
}