Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "667f48418af64dcaa4430cb1c2587047",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.654,
"b": 146.163,
"c": 77.769,
"alpha": 90.00,
"beta": 96.52,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.266,1.900],
"number_observations_unique": 135002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 13426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 13503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 13437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 13470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 13510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 13531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 13479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 13567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 13529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
{
"resolution_limits": [50.000,4.090],
"number_observations_unique": 13550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 4.6
}
]
}
]
}