Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3adf728d48504eb651719719403e13f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 159.233,
"b": 159.233,
"c": 127.871,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.00,3.40],
"number_observations": 145208,
"number_observations_unique": 23100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [3.52,3.40],
"number_observations_unique": 2234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.640
},
{
"type": "R(meas)",
"value": 0.702
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [3.66,3.52],
"number_observations_unique": 2286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [3.83,3.66],
"number_observations_unique": 2267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [4.03,3.83],
"number_observations_unique": 2281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [4.28,4.03],
"number_observations_unique": 2272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.61,4.28],
"number_observations_unique": 2292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.07,4.61],
"number_observations_unique": 2310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.80,5.07],
"number_observations_unique": 2327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.29,5.80],
"number_observations_unique": 2362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [30.00,7.29],
"number_observations_unique": 2469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}