Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abf20ad035969e82a9cd592fcdc6f78b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.353,
"b": 72.034,
"c": 121.110,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.82661],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [121.110,1.500],
"number_observations": 1093283,
"number_observations_unique": 85187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.50],
"number_observations": 98596,
"number_observations_unique": 9979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.41
},
{
"type": "R(pim)",
"value": 0.13
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 79.10
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [1.68,1.58],
"number_observations": 159286,
"number_observations_unique": 12016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(meas)",
"value": 0.34
},
{
"type": "R(pim)",
"value": 0.09
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [1.79,1.68],
"number_observations": 150060,
"number_observations_unique": 11287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.24
},
{
"type": "R(pim)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [1.94,1.79],
"number_observations": 141100,
"number_observations_unique": 10536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.17
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [2.12,1.94],
"number_observations": 128531,
"number_observations_unique": 9747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.12
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [2.37,2.12],
"number_observations": 115586,
"number_observations_unique": 8830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "R(pim)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [2.74,2.37],
"number_observations": 103786,
"number_observations_unique": 7820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [3.35,2.74],
"number_observations": 90307,
"number_observations_unique": 6697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.50
}
]
},
{
"resolution_limits": [4.74,3.35],
"number_observations": 69078,
"number_observations_unique": 5238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [121.11,4.74],
"number_observations": 36953,
"number_observations_unique": 3037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 12.20
}
]
}
]
}