Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d65821e36900574ba0c9afc7bb99a3cb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.528,
"b": 87.877,
"c": 89.896,
"alpha": 90.00,
"beta": 104.31,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.91],
"number_observations_unique": 49105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 4926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.789
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations_unique": 4966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "R(meas)",
"value": 0.623
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [2.20,2.10],
"number_observations_unique": 4980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.519
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [2.31,2.20],
"number_observations_unique": 4998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations_unique": 4926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations_unique": 4885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations_unique": 4928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.33,2.91],
"number_observations_unique": 4892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.20,3.33],
"number_observations_unique": 4748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 92.8
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [50.00,4.20],
"number_observations_unique": 4856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}