Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18bd5dfa9d0875d94ae661e53d58ac9b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.203,
"b": 88.387,
"c": 94.644,
"alpha": 90.00,
"beta": 89.93,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.776],
"number_observations_unique": 30880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.800],
"number_observations_unique": 3122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.723
},
{
"type": "R(meas)",
"value": 0.796
},
{
"type": "R(pim)",
"value": 0.453
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [3.020,2.900],
"number_observations_unique": 3098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [3.150,3.020],
"number_observations_unique": 3091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [3.320,3.150],
"number_observations_unique": 3102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.530,3.320],
"number_observations_unique": 3133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.800,3.530],
"number_observations_unique": 3098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.180,3.800],
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.780,4.180],
"number_observations_unique": 3066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.020,4.780],
"number_observations_unique": 3056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [30.000,6.020],
"number_observations_unique": 3024,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}