Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6c0811f4382f5ddcf23810be5ceba11",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.322,
"b": 85.997,
"c": 76.513,
"alpha": 90.00,
"beta": 102.12,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.3,2.140],
"number_observations_unique": 46815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "I/SigI",
"value": 2.16
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 2285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 2345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.497
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 2338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.360,2.310],
"number_observations_unique": 2309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.410,2.360],
"number_observations_unique": 2349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.470,2.410],
"number_observations_unique": 2340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.540,2.470],
"number_observations_unique": 2366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.610,2.540],
"number_observations_unique": 2345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.700,2.610],
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.790,2.700],
"number_observations_unique": 2352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.900,2.790],
"number_observations_unique": 2320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations_unique": 2361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.200,3.040],
"number_observations_unique": 2382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.400,3.200],
"number_observations_unique": 2310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.660,3.400],
"number_observations_unique": 2369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.030,3.660],
"number_observations_unique": 2357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.610,4.030],
"number_observations_unique": 2348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [5.810,4.610],
"number_observations_unique": 2363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [50.000,5.810],
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}