Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd9eb237c220c59c5ff4114247efaada",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 197.52,
"b": 63.71,
"c": 93.80,
"alpha": 90.00,
"beta": 101.65,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.850],
"number_observations": 651819,
"number_observations_unique": 98386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.850],
"number_observations_unique": 9810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.728
},
{
"type": "R(meas)",
"value": 0.796
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [1.990,1.920],
"number_observations_unique": 9770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.080,1.990],
"number_observations_unique": 9767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.190,2.080],
"number_observations_unique": 9774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.330,2.190],
"number_observations_unique": 9813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.510,2.330],
"number_observations_unique": 9836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.760,2.510],
"number_observations_unique": 9832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.160,2.760],
"number_observations_unique": 9842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.980,3.160],
"number_observations_unique": 9893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [25.000,3.980],
"number_observations_unique": 10049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}