Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0c19ae13b859816d460eb6d3c1c8b16",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.172,
"b": 61.903,
"c": 74.362,
"alpha": 90.00,
"beta": 104.81,
"gamma": 90.00
},
"wavelengths": [0.97980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.41],
"number_observations_unique": 206130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.46,1.41],
"number_observations_unique": 15467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "Completeness",
"value": 72.20
},
{
"type": "Redundancy",
"value": 1.80
}
]
},
{
"resolution_limits": [1.52,1.46],
"number_observations_unique": 20595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [1.59,1.52],
"number_observations_unique": 20970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [1.67,1.59],
"number_observations_unique": 21211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [1.78,1.67],
"number_observations_unique": 21334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [1.91,1.78],
"number_observations_unique": 21301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.11,1.91],
"number_observations_unique": 21349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.41,2.11],
"number_observations_unique": 21373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [3.04,2.41],
"number_observations_unique": 21323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [50.00,3.04],
"number_observations_unique": 21207,
"quality_factors": [
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.90
}
]
}
]
}