Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed6601f45a981560393b4b61320c00a3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 39.680,
"b": 60.789,
"c": 143.267,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.633,2.568],
"number_observations": 48923,
"number_observations_unique": 11314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.570],
"number_observations": 5727,
"number_observations_unique": 1372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(pim)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 81.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.870,2.710],
"number_observations": 6966,
"number_observations_unique": 1575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.070,2.870],
"number_observations": 6759,
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.320,3.070],
"number_observations": 6091,
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.630,3.320],
"number_observations": 5512,
"number_observations_unique": 1282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.060,3.630],
"number_observations": 5188,
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [4.690,4.060],
"number_observations": 4290,
"number_observations_unique": 1017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [5.740,4.690],
"number_observations": 3950,
"number_observations_unique": 907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [8.120,5.740],
"number_observations": 2869,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [47.756,8.120],
"number_observations": 1571,
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}