Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c1018662471f0e73a41b343f7b8e3a1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 39.047,
"b": 48.772,
"c": 85.711,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97895],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.72,1.700],
"number_observations_unique": 18505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 1777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations_unique": 1808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.02,1.91],
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [2.14,2.02],
"number_observations_unique": 1817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [2.31,2.14],
"number_observations_unique": 1856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.54,2.31],
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [2.91,2.54],
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [3.66,2.91],
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [30.00,3.66],
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Redundancy",
"value": 6.50
}
]
}
]
}