Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "31735863905ea640795390131c9b4f71",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.57,
"b": 85.48,
"c": 116.79,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.16,1.24],
"number_observations_unique": 131248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 11.62
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.27,1.24],
"number_observations_unique": 9237,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.775
},
{
"type": "R(meas)",
"value": 1.862
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [1.31,1.27],
"number_observations_unique": 8927,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.485
},
{
"type": "R(meas)",
"value": 1.557
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [1.34,1.31],
"number_observations_unique": 9017,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.192
},
{
"type": "R(meas)",
"value": 1.25
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [1.39,1.34],
"number_observations_unique": 8735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.973
},
{
"type": "R(meas)",
"value": 1.022
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [1.43,1.39],
"number_observations_unique": 8574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.75
},
{
"type": "R(meas)",
"value": 0.789
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [1.48,1.43],
"number_observations_unique": 8236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [1.54,1.48],
"number_observations_unique": 8065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.6,1.54],
"number_observations_unique": 7793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28
},
{
"type": "R(meas)",
"value": 0.293
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.67,1.60],
"number_observations_unique": 7506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.75,1.67],
"number_observations_unique": 7281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.18
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.85,1.75],
"number_observations_unique": 6887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.96,1.85],
"number_observations_unique": 6384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.1,1.96],
"number_observations_unique": 6135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.26,2.10],
"number_observations_unique": 5783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.48,2.26],
"number_observations_unique": 5335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.77,2.48],
"number_observations_unique": 4876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.2,2.77],
"number_observations_unique": 4334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.92,3.20],
"number_observations_unique": 3555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.55,3.92],
"number_observations_unique": 2900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [39.16,5.55],
"number_observations_unique": 1688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}