Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab7f69038253970288b1ddad96b3b670",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 83.664,
"b": 86.595,
"c": 110.714,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840,0.97880,0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.032,2.343],
"number_observations_unique": 33165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations_unique": 3200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.530,2.430],
"number_observations_unique": 3209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.650,2.530],
"number_observations_unique": 3223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.790,2.650],
"number_observations_unique": 3191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.960,2.790],
"number_observations_unique": 3257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.190,2.960],
"number_observations_unique": 3296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.510,3.190],
"number_observations_unique": 3398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.020,3.510],
"number_observations_unique": 3464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [5.060,4.020],
"number_observations_unique": 3489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [100.000,5.060],
"number_observations_unique": 3639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}