Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b790fb01f3a224bf9d27cd961873e469",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 79.804,
"b": 79.804,
"c": 137.220,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.112,1.500],
"number_observations": 793117,
"number_observations_unique": 42035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 35.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 18.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 104413,
"number_observations_unique": 5906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.818
},
{
"type": "R(pim)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 17.700
}
]
},
{
"resolution_limits": [1.680,1.580],
"number_observations": 109459,
"number_observations_unique": 5721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
}
]
},
{
"resolution_limits": [1.790,1.680],
"number_observations": 105088,
"number_observations_unique": 5374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.600
}
]
},
{
"resolution_limits": [1.940,1.790],
"number_observations": 93882,
"number_observations_unique": 5041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.600
}
]
},
{
"resolution_limits": [2.120,1.940],
"number_observations": 93312,
"number_observations_unique": 4644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
}
]
},
{
"resolution_limits": [2.370,2.120],
"number_observations": 80875,
"number_observations_unique": 4248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
}
]
},
{
"resolution_limits": [2.740,2.370],
"number_observations": 73575,
"number_observations_unique": 3772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.500
}
]
},
{
"resolution_limits": [3.350,2.740],
"number_observations": 60477,
"number_observations_unique": 3225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
}
]
},
{
"resolution_limits": [4.740,3.350],
"number_observations": 46556,
"number_observations_unique": 2561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.200
}
]
},
{
"resolution_limits": [48.691,4.740],
"number_observations": 25480,
"number_observations_unique": 1543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.500
}
]
}
]
}