Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f413ea6735ad42de1cb7d3142b8ece5",
"space_group_name": "P 6",
"unit_cell": {
"a": 148.208,
"b": 148.208,
"c": 163.642,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [164.399,2.700],
"number_observations_unique": 55594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.85,2.70],
"number_observations": 41663,
"number_observations_unique": 7989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [3.02,2.85],
"number_observations": 40663,
"number_observations_unique": 7630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 5.30
}
]
},
{
"resolution_limits": [3.23,3.02],
"number_observations": 39194,
"number_observations_unique": 7163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [3.49,3.23],
"number_observations": 38136,
"number_observations_unique": 6719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [3.82,3.49],
"number_observations": 36819,
"number_observations_unique": 6232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [4.27,3.82],
"number_observations": 34717,
"number_observations_unique": 5612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [4.93,4.27],
"number_observations": 31392,
"number_observations_unique": 4975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [6.04,4.93],
"number_observations": 26522,
"number_observations_unique": 4191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [8.54,6.04],
"number_observations": 20649,
"number_observations_unique": 3278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [40.93,8.54],
"number_observations": 10894,
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 6.00
}
]
}
]
}