Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "900763b459d3cbd132af2ae26f2f41de",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 87.29,
"b": 69.77,
"c": 102.64,
"alpha": 90.00,
"beta": 102.74,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.951,1.53],
"number_observations_unique": 175865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 7.50
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 6.875
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.57,1.53],
"number_observations_unique": 12721,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.2319999999999998
},
{
"type": "R(meas)",
"value": 2.406
},
{
"type": "CC(1/2)",
"value": 0.49
}
]
},
{
"resolution_limits": [1.61,1.57],
"number_observations_unique": 12421,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.855
},
{
"type": "R(meas)",
"value": 2.002
},
{
"type": "CC(1/2)",
"value": 0.5579999999999999
}
]
},
{
"resolution_limits": [1.66,1.61],
"number_observations_unique": 12108,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.59
},
{
"type": "R(meas)",
"value": 1.719
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [1.71,1.66],
"number_observations_unique": 11832,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.3430000000000002
},
{
"type": "R(meas)",
"value": 1.455
},
{
"type": "CC(1/2)",
"value": 0.7490000000000001
}
]
},
{
"resolution_limits": [1.77,1.71],
"number_observations_unique": 11450,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.109
},
{
"type": "R(meas)",
"value": 1.208
},
{
"type": "CC(1/2)",
"value": 0.81
}
]
},
{
"resolution_limits": [1.83,1.77],
"number_observations_unique": 11148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.941
},
{
"type": "R(meas)",
"value": 1.02
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [1.9,1.83],
"number_observations_unique": 10763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7140000000000001
},
{
"type": "R(meas)",
"value": 0.77
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [1.98,1.90],
"number_observations_unique": 10378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "R(meas)",
"value": 0.672
},
{
"type": "CC(1/2)",
"value": 0.9309999999999999
}
]
},
{
"resolution_limits": [2.06,1.98],
"number_observations_unique": 10017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.49
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "CC(1/2)",
"value": 0.9590000000000001
}
]
},
{
"resolution_limits": [2.16,2.06],
"number_observations_unique": 9566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.41200000000000003
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
},
{
"resolution_limits": [2.28,2.16],
"number_observations_unique": 9138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.42,2.28],
"number_observations_unique": 8674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.59,2.42],
"number_observations_unique": 8190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.79,2.59],
"number_observations_unique": 7650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.06,2.79],
"number_observations_unique": 7023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.14300000000000002
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [3.42,3.06],
"number_observations_unique": 6433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [3.95,3.42],
"number_observations_unique": 5678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.84,3.95],
"number_observations_unique": 4814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [6.84,4.84],
"number_observations_unique": 3761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [44.951,6.84],
"number_observations_unique": 2100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}