Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c027247fb8ae1817cce9b0b13c1b13f",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 78.168,
"b": 78.168,
"c": 165.458,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.250],
"number_observations_unique": 28363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 10.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.250],
"number_observations_unique": 2772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.60
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations_unique": 2809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [2.530,2.420],
"number_observations_unique": 2800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [2.670,2.530],
"number_observations_unique": 2787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.80
}
]
},
{
"resolution_limits": [2.830,2.670],
"number_observations_unique": 2801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.80
}
]
},
{
"resolution_limits": [3.050,2.830],
"number_observations_unique": 2814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [3.360,3.050],
"number_observations_unique": 2847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.50
}
]
},
{
"resolution_limits": [3.850,3.360],
"number_observations_unique": 2840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 10.00
}
]
},
{
"resolution_limits": [4.850,3.850],
"number_observations_unique": 2875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 9.30
}
]
},
{
"resolution_limits": [50.000,4.850],
"number_observations_unique": 3018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 9.80
}
]
}
]
}