Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29c1621b7c68b44a0644a7d0f0071df3",
"space_group_name": "C 2 2 2",
"unit_cell": {
"a": 60.4,
"b": 157.4,
"c": 77.2,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.540,2.350],
"number_observations_unique": 15745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 22.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.199
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.350],
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 4.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.630
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations_unique": 1674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 5.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.553
}
]
},
{
"resolution_limits": [2.600,2.500],
"number_observations_unique": 1425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 7.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.433
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations_unique": 1211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 9.090
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.187
}
]
},
{
"resolution_limits": [2.800,2.700],
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 10.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.806
}
]
},
{
"resolution_limits": [2.900,2.800],
"number_observations_unique": 906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.032
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 16.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.590
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations_unique": 4367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 29.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.246
}
]
},
{
"resolution_limits": [45.540,4.000],
"number_observations_unique": 3329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 45.480
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.821
}
]
}
]
}