Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9cb03c6120e6df598b1f9824619988d8",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 43.930,
"b": 85.607,
"c": 65.228,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.233,1.900],
"number_observations_unique": 19697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.900],
"number_observations": 12830,
"number_observations_unique": 2811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.120,2.000],
"number_observations": 12168,
"number_observations_unique": 2629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.270,2.120],
"number_observations": 11702,
"number_observations_unique": 2511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.450,2.270],
"number_observations": 11118,
"number_observations_unique": 2368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.690,2.450],
"number_observations": 10202,
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.000,2.690],
"number_observations": 9343,
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.470,3.000],
"number_observations": 8278,
"number_observations_unique": 1776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.250,3.470],
"number_observations": 7052,
"number_observations_unique": 1525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [6.010,4.250],
"number_observations": 5535,
"number_observations_unique": 1217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.6
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [26.189,6.010],
"number_observations": 2917,
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
}
]
}