Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e94774c0c3bf5f579d7d73f32fbf76b7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.525,
"b": 98.494,
"c": 71.040,
"alpha": 90.00,
"beta": 87.51,
"gamma": 90.00
},
"wavelengths": [0.97157],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 43582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations_unique": 4271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations_unique": 4376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 4333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations_unique": 4336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations_unique": 4348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations_unique": 4368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations_unique": 4373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations_unique": 4356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [4.31,3.42],
"number_observations_unique": 4387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [50.00,4.31],
"number_observations_unique": 4434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.10
}
]
}
]
}