Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f056cefe54c9642d20c01ad9369fec2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.11,
"b": 46.38,
"c": 46.03,
"alpha": 90.00,
"beta": 92.21,
"gamma": 90.00
},
"wavelengths": [0.91949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.9940,1.600],
"number_observations": 135601,
"number_observations_unique": 38281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 19559,
"number_observations_unique": 5536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(pim)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.790,1.690],
"number_observations": 18574,
"number_observations_unique": 5253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.910,1.790],
"number_observations": 17564,
"number_observations_unique": 4948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.070,1.910],
"number_observations": 16273,
"number_observations_unique": 4587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.260,2.070],
"number_observations": 15153,
"number_observations_unique": 4261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.530,2.260],
"number_observations": 13745,
"number_observations_unique": 3853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.920,2.530],
"number_observations": 12194,
"number_observations_unique": 3424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.580,2.920],
"number_observations": 10359,
"number_observations_unique": 2906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.060,3.580],
"number_observations": 7966,
"number_observations_unique": 2250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [27.994,5.060],
"number_observations": 4214,
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}