Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3620bbc17365e62f081f99ec9d785cc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.814,
"b": 87.289,
"c": 123.797,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.814,1.431],
"number_observations": 691974,
"number_observations_unique": 91458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.431],
"number_observations_unique": 12470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "R(meas)",
"value": 0.945
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.600,1.510],
"number_observations_unique": 12614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "R(meas)",
"value": 0.657
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.710,1.600],
"number_observations_unique": 11879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.457
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [1.850,1.710],
"number_observations_unique": 11085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [2.020,1.850],
"number_observations_unique": 10214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.260,2.020],
"number_observations_unique": 9271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.610,2.260],
"number_observations_unique": 8207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [3.200,2.610],
"number_observations_unique": 7010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [4.530,3.200],
"number_observations_unique": 5518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [45.814,4.530],
"number_observations_unique": 3190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.600
}
]
}
]
}