Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "141907caa8e148b03f873a65097b8e37",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.56,
"b": 111.24,
"c": 134.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.754,2.100],
"number_observations": 126025,
"number_observations_unique": 41489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.100],
"number_observations": 8468,
"number_observations_unique": 4684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(pim)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 70.400
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [2.350,2.210],
"number_observations": 9691,
"number_observations_unique": 4995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 78.600
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [2.510,2.350],
"number_observations": 10887,
"number_observations_unique": 5165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.710,2.510],
"number_observations": 12282,
"number_observations_unique": 5113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [2.970,2.710],
"number_observations": 13979,
"number_observations_unique": 4900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.320,2.970],
"number_observations": 15529,
"number_observations_unique": 4560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.830,3.320],
"number_observations": 16640,
"number_observations_unique": 4140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.700,3.830],
"number_observations": 16238,
"number_observations_unique": 3549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [6.640,4.700],
"number_observations": 14105,
"number_observations_unique": 2816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [26.280,6.640],
"number_observations": 8206,
"number_observations_unique": 1567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.200
}
]
}
]
}